| (+)-(13R)-cuscutamine | 122170-93-8 | C1CC(=O)N2[C@@H]1C3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3 | C1CC(=O)N2C1C3=C(CC2C(=O)O)C4=CC=CC=C4N3 | Details |
| (+)-(1S,2S,4R)-limonene-1,2-diol | 38630-75-0 | C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](O)C1 | — | Details |
| (+)-(2S)-2-(4-chlorophenyl)succinic acid | 89359-12-6 | C1=CC(=CC=C1[C@H](CC(=O)O)C(=O)O)Cl | — | Details |
| (+)-1-[(1-methylethyl)amino]-3-phenoxy-2-propanol | 140630-43-9 | CC(C)NC[C@H](COC1=CC=CC=C1)O | CC(C)NCC(COC1=CC=CC=C1)O | Details |
| (+)-2-(3-chlorophenyl) propanoic acid | 14161-84-3 | — | CC(C1=CC(=CC=C1)Cl)C(=O)O | Details |
| (+)-2-(3-methylphenyl)propanoic acid | 73721-06-9 | — | CC1=CC(=CC=C1)C(C)C(=O)O | Details |
| (+)-2-(4-methylphenyl)propanoic acid | 938-94-3 | — | CC1=CC=C(C=C1)C(C)C(=O)O | Details |
| (+)-E-ε-viniferin | 129170-22-5 | C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| (+)-ampelopsin A | 130608-11-6 | C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O | — | Details |
| (+)-catechin | 154-23-4 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| (+)-catechin gallate | 25615-05-8 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (+)-catechin-4β-S-tiopronin methyl ester | — | O1[C@@H]([C@@H](O[H])[C@H](C2=C(O[H])C=C(O[H])C=C12)S[C@H](C)C(NCC(OC)=O)=O)C3=CC(=C(O[H])C=C3)O[H] | — | Details |
| (+)-corydine | 476-69-7 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC | — | Details |
| (+)-dihydromyricetin | 27200-12-0 | C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O | C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| (+)-epipinoresinol | 18779-41-4 | COC1=C(C=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O | Details |
| (+)-ferruginol | 514-62-5 | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O | — | Details |
| (+)-glaucine | 475-81-0 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC | — | Details |
| (+)-hesperetin | #N/A | #N/A | #N/A | Details |
| (+)-isocorydine | 475-67-2 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC | — | Details |
| (+)-norephedrine | 37577-28-9 | C[C@H]([C@H](C1=CC=CC=C1)O)N | — | Details |
| (+)-pheniramine | #N/A | CN(C)CC[C@@H](C1=CC=CC=C1)C2=CC=CC=N2 | CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2 | Details |
| (+)-pinoresinol | 487-36-5 | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O | Details |
| (+)-piperitol | 52151-92-5 | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O | Details |
| (+)-praeruptorin A | 73069-27-9 | C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C | — | Details |
| (+)-praeruptorin B | 81740-07-0 | C/C=C(\C)/C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)/C(=C/C)/C | — | Details |
| (+)-totarol | 511-15-9 | CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O | — | Details |
| (+)-trans-paroxol | #N/A | — | — | Details |
| (+)-vitisin A | 142449-89-6 | C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)/C=C/C8=C9[C@@H]([C@H](OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O | — | Details |
| (-)-(2R)-2-(4-chlorophenyl)succinic acid | — | C1=CC(=CC=C1[C@@H](CC(=O)O)C(=O)O)Cl | — | Details |
| (-)-1-[(1-methylethyl)amino]-3-phenoxy-2-propanol | 106351-44-4 | CC(C)NC[C@@H](COC1=CC=CC=C1)O | CC(C)NCC(COC1=CC=CC=C1)O | Details |
| (-)-13aα-antofine | 32671-82-2 | C=1C2=C(C=C(C1OC)OC)C=3C=C(C=CC3C4=C2C[C@]5(CCCN5C4)[H])OC | — | Details |
| (-)-2-(3-chlorophenyl) propanoic acid | 14161-84-3 | — | CC(C1=CC(=CC=C1)Cl)C(=O)O | Details |
| (-)-2-(3-methylphenyl)propanoic acid | 73721-06-9 | — | CC1=CC(=CC=C1)C(C)C(=O)O | Details |
| (-)-2-(4-methylphenyl)propanoic acid | 938-94-3 | — | CC1=CC=C(C=C1)C(C)C(=O)O | Details |
| (-)-Taxifolin | 111003-33-9 | C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | — | Details |
| (-)-Taxifolin-7-O-glucoside | 14292-40-1 | C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| (-)-aurenitol | 71774-51-1 | C/C=C/C=C/[C@H]1CO[C@H]([C@@H]1O)/C=C/C=C | — | Details |
| (-)-epiafzelechin gallate-(4β→6)-(-)-epigallocatechin gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epicatechin | 17334-50-8 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| (-)-epicatechin | 490-46-0 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| (-)-epicatechin gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epicatechin gallate-(4β→6)-(-)-epigallocatechin gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epicatechin-3-gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin | 970-74-1 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O | — | Details |
| (-)-epigallocatechin gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin gallate isomers | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin gallate-(4β→6)-(-)-epicatechin gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin gallate-(4β→6)-(-)-epigallocatechin gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin-3,5-di-O-gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-epigallocatechin-3-gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-gallocatechin gallate isomers | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (-)-hesperetin | 520-33-2 | COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| (-)-norephedrine | 492-41-1 | C[C@@H]([C@@H](C1=CC=CC=C1)O)N | — | Details |
| (-)-pheniramine | #N/A | #N/A | #N/A | Details |
| (-)-trans-paroxol | #N/A | — | — | Details |
| (-)-vitisin B | — | C1=CC(=CC=C1[C@@H]2[C@H](C3=C(C=C(C=C3O2)O)/C=C/C4=CC5=C(C=C4)O[C@H]([C@@H]5C6=C7[C@@H]([C@H](OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O | — | Details |
| (12E)- and (12Z)-communic acid | 2761-77-5 | C/C(=C\C[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)/C=C | — | Details |
| (1R, 4R)-sertraline | 79617-98-4 | CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | Details |
| (1S, 4S)-sertraline | 79617-96-2 | CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | Details |
| (2,4-cis and trans)-9-hydroxy asimicinone | 123012-00-0 | CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CCC(O2)[C@@H](CCCCCCCCCC[C@@H]3C[C@H](C(=O)O3)CC(=O)C)O)O | — | Details |
| (2,4-cis and trans)-squamoxinone B | 206192-81-6 | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(CCCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O | — | Details |
| (2,4-cis and trans)-squamoxinone C | 206192-81-6 | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(CCCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O | — | Details |
| (2E)-N-isobutyl-2-undecene-8,10-diynamide | — | C#CC#CCCCC/C=C/C(=O)NCC(C)C | — | Details |
| (2E,4E)-N-isobutyl-decadienamide | 18836-52-7 | CCCCC/C=C\C=C\C(=O)NCC(C)C | — | Details |
| (2E,4E,12Z)-N-isobutyl-octadecatrienamide | 151391-69-4 | CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| (2E,4E,14Z)-N-isobutyleicosa-2,4,14-trienamide | 151391-70-7 | CCCCC/C=C\CCCCCCCC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| (2E,6Z,8E)-N-(2-methylbutyl)-2,6,8-decatrienamide | — | CCC(C)CNC(=O)/C=C/CC/C=C\C=C\C | — | Details |
| (2R)-2-O-β-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one | — | O=C2Nc1ccccc1O[C@@H]2O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O | — | Details |
| (2R)-2-O-β-D-glucopyranosyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one | 155835-54-4 | O=C3[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)Oc2ccccc2N3O | — | Details |
| (2S)-4′,5,6,7-tetrahydroxyflavavone 6-O-β-D-glucopyranoside | — | O=C3C[C@@H](c1ccc(O)cc1)Oc4c(O)c(O)c(OC2OC(CO)C(O)C(O)C2O)c(O)c34 | — | Details |
| (2S)-5,2',6'-trihydroxy-8-prenyl-6,7-(3-prenyl-2,2-dimethyl-1-keone-cyclohexadiene)-flavanone | — | C/C(C)=C\CC4=Cc3c(O)c2C(=O)C[C@@H](c1c(O)cccc1O)Oc2c(C/C=C(C)\C)c3C(=O)C4(C)C | — | Details |
| (2S)-5,2′, 6′-trihydroxy-8-prenyl-6,7-(3-prenyl-2,2-dimethylpyrano)-3′,4′ -(2,2-dimethyl-1-keone-cyclohexadiene)-flavanone | — | [H][C@@]5(c2c(O)cc1C=CC(C)(C)C(=O)c1c2O)CC(=O)c4c(O)c3C=C(C/C=C(C)\C)C(C)(C)Oc3c(C/C=C(C)/C)c4O5 | — | Details |
| (2S)-5,2′,6′-trihydroxy-2′′,2′′-dimethylpyrano[5′′,6′′,6,7]-flavanone | — | [H][C@@]4(c1c(O)cccc1O)CC(=O)c3c(O)c2C=CC(C)(C)Oc2cc3O4 | — | Details |
| (2S)-5,7,2′,6′-tetrahydroxy-4′-lavandulylated flavanone | — | [H][C@@]3(c1c(O)cc(CC(C/C=C(C)\C)C(=C)C)cc1O)CC(=O)c2c(O)cc(O)cc2O3 | — | Details |
| (2S)-5,7,2′,6′-tetrahydroxy-6,8-di-(γ,γ-dimethylallyl)-flavanone | — | [H][C@@]3(c1c(O)cccc1O)CC(=O)c2c(O)c(C/C=C(C)/C)c(O)c(C/C=C(C)/C)c2O3 | — | Details |
| (2S)-5,7,2′,6′-tetrahydroxy-6-lavandulylated-flavanone | — | [H][C@@]3(c1c(O)cccc1O)CC(=O)c2c(O)c(CC(C/C=C(C)\C)C(=C)C)c(O)cc2O3 | — | Details |
| (2S)-5-O-[α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranosyl]-5,7,3',4'-tetrahydroxyflavan | — | C[C@@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc4cc(O)cc3O[C@H](c2ccc(O)c(O)c2)CCc34)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| (2S)-5-O-[α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranosyl]eriodictyol | — | C[C@@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc4cc(O)cc3O[C@H](c2ccc(O)c(O)c2)CC(=O)c34)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| (2S)-5-O-[α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranosyl]naringenin | — | C[C@@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc4cc(O)cc3O[C@H](c2ccc(O)cc2)CC(=O)c34)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| (2S, 3′′S)-5,2′,6′-trihydroxy-3′′-γ,γ-dimethylallyl-2′′,2′′-dimethyl-3′′,4′′-dihydropyrano-[5′′,6′′,6,7]-flavanone | — | [H][C@@]4(c1c(O)cccc1O)CC(=O)c3c(O)c2CC(C/C=C(C)/C)C(C)(C)Oc2cc3O4 | — | Details |
| (2Z)-N-isobutyl-2-nonene-6,8-diynamide | — | C#CC#CCC/C=C/C(=O)NCC(C)C | — | Details |
| (3R)-(−)-7,2,-dihydroxy-3,4,-dimethy isoflavan-7-O-β-D-glucopyranoside | — | COc4ccc([C@@H]3COc2cc(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)ccc2C3)c(O)c4OC | — | Details |
| (3R)-2'-hydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucoside | 94367-43-8 | COC1=C(C(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC2)O)OC | — | Details |
| (5-((S)-2′-oxo-4′-hydroxypentyl)-2-hydroxymethylchromone | — | C[C@H](O)CC(=O)Cc1cccc2oc(CO)cc(=O)c12 | — | Details |
| (5αH)-6-epidihydrocornin | #N/A | #N/A | #N/A | Details |
| (6,6)-Phenyl C61 butyric acid methyl ester | 160848-22-6 | — | COC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1 | Details |
| (6aR,11aR)-9,10-dimethoxypterocarpan-3-O-β-D-glucopyranoside | — | COc5ccc3c(OC4c2ccc(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)cc2OCC34)c5OC | — | Details |
| (6aR,11aR)-9,10-dimethoxypterocarpan-3-O-β-D-glucoside | — | COc5ccc3c(OC4c2ccc(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)cc2OCC34)c5OC | — | Details |
| (7R)-secologain n-butyl methyl acetal | — | [H][C@]2(C=C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OC)OCCCC | — | Details |
| (7Z,10Z,18Z)-tricosa-7,10,18-trienamide | — | CCCC/C=C\CCCCCC/C=C\C/C=C\CCCCCC(N)=O | — | Details |
| (9R)-hydroxy-D-sesamin | #N/A | #N/A | #N/A | Details |
| (E)-2′′-(2′′-hydroxy-isopropyl)-dihydrofurano[2′′,3′′:4′,3′]-2′,4-dihydroxy-6′-methoxychalcone | — | COc2cc1OC(C(C)(C)O)Cc1c(O)c2C(=O)/C=C/c3ccc(O)cc3 | — | Details |
| (E)-4-(3′,4′-dimethoxyphenyl)but-1,3-diene | 56633-34-2 | C=C/C=C/c1ccc(OC)c(OC)c1 | — | Details |
| (E)-4-(3′,4′-dimethoxyphenyl)but-3-enyl acetate | — | CC(=O)OCC/C=C/C1=CC(=C(C=C1)OC)OC | — | Details |
| (E)-4-β-D-glucopyranosyloxycinnamic acid 9-(4-β-D- glucopyranosyloxybenzyl) ester | — | C1=CC(=CC=C1COC(=O)/C=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| (E)-Astringin | 29884-49-9 | C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | — | Details |
| (E)-Isorhapontin | 32727-29-0 | COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| (E)-butylidene phthalide | 76681-73-7 | CCC/C=C/1\C2=CC=CC=C2C(=O)O1 | — | Details |
| (E)-butylidine phthalide | 76681-73-7 | CCC/C=C/1\C2=CC=CC=C2C(=O)O1 | — | Details |
| (E)-isoelemicin | 5273-85-8 | C/C=C/C1=CC(=C(C(=C1)OC)OC)OC | — | Details |
| (R)-acetyltropic acid | 14510-36-2 | CC(=O)OC[C@H](C(=O)O)c1ccccc1 | — | Details |
| (R)-rosmarinic acid | 20283-92-5 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| (S)-3,7-dimethyl-5-octene-1,7-diol | 1740-94-9 | C[C@H](CCO)C/C=C/C(C)(C)O | — | Details |
| (S)-acetyltropic acid | 14510-36-2 | CC(=O)OC[C@@H](C(=O)O)c1ccccc1 | — | Details |
| (S)-dehydrovomifoliol | 15764-81-5 | CC1=CC(=O)CC([C@]1(/C=C/C(=O)C)O)(C)C | — | Details |
| (Z)-2-(2-methylpropyl)butenedioic acid bis(4-β-D-glucopyranosyloxybenzyl) ester | — | CC(C)C/C(=C/C(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| (Z)-ligustilide | 81944-09-4 | CCC/C=C\1/C2=C(C=CCC2)C(=O)O1 | CCCC=C1C2=C(C=CCC2)C(=O)O1 | Details |
| (–)-(13S)-cuscutamine | 122170-93-8 | C1CC(=O)N2[C@@H]1C3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3 | C1CC(=O)N2C1C3=C(CC2C(=O)O)C4=CC=CC=C4N3 | Details |
| (−)-(1R,2R,4R)-limonene-1,2-diol | 59121-74-3 | C=C(C)[C@@H]1CC[C@](C)(O)[C@H](O)C1 | — | Details |
| (−)-crebanine | 25127-29-1 | [H][C@]35Cc1c(ccc(OC)c1OC)c4c2OCOc2cc(CCN3C)c45 | — | Details |
| (−)-epicatechin gallate-4β-S-tiopronin methyl ester. | — | O2[C@@H]([C@H](OC(C1=CC(=C(C(=C1)O[H])O[H])O[H])=O)[C@H](C3=C(O[H])C=C(O[H])C=C23)S[C@H](C)C(N(CC(OC)=O)[H])=O)C4=CC(=C(O[H])C=C4)O[H] | — | Details |
| (−)-epicatechin-3-O-gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| (−)-epicatechin-4β-S-tiopronin methyl ester | — | O1[C@@H]([C@H](O[H])[C@H](C2=C(O[H])C=C(O[H])C=C12)S[C@H](C)C(N(CC(OC)=O)[H])=O)C3=CC(=C(O[H])C=C3)O[H] | — | Details |
| (−)-stephanine | 517-63-5 | CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC=C5OC)OCO3 | — | Details |
| 1,1'-[(4-methyl-1,2-phenylene)bis(oxy)]bis[3-[(1-methylethyl)amino]-2-propanol | #N/A | #N/A | #N/A | Details |
| 1,1'-[1,4-phenylenebis(oxy)]bis[3-[(1-methylethyl)amino]-2-propanol | #N/A | #N/A | #N/A | Details |
| 1,1,6-trimethyl-1,2-dihydronaphthalene | — | — | — | Details |
| 1,2,15,16-tetrahydrotanshiquinone | 126979-84-8 | — | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C | Details |
| 1,2,3,4,6-penta-O-galloyl-ß-D-glucose | 14937-32-7 | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O | — | Details |
| 1,2,3,4,6-penta-O-galloyl-β-D-glucose | 14937-32-7 | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O | — | Details |
| 1,2,3,4,6-penta-O-galloyl-β-D-pyranglucose | #N/A | #N/A | #N/A | Details |
| 1,2,3,4,6-pentagalloyl-β-D-glucose | 14937-32-7 | O=C(O[C@H]([C@H]([C@@H]([C@@H](COC(C1=CC(O)=C(O)C(O)=C1)=O)O2)OC(C3=CC(O)=C(O)C(O)=C3)=O)OC(C4=CC(O)=C(O)C(O)=C4)=O)[C@@H]2OC(C5=CC(O)=C(O)C(O)=C5)=O)C6=CC(O)=C(O)C(O)=C6.O | — | Details |
| 1,2,3,6-tetra-O-galloyl-β-D-pyranglucose | #N/A | #N/A | #N/A | Details |
| 1,2,6,8-tetrahydroxy-7-methoxy-3-methyl-anthraquinone | — | — | — | Details |
| 1,2,6-tri-O-galloyl-β-D-pyranglucose | #N/A | #N/A | #N/A | Details |
| 1,2,6-trihydroxy-7,8-dimethoxy-3-methylanthraquinone | — | — | — | Details |
| 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) | 4004-05-1 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC | Details |
| 1,2-O-diferuloylglycerol | 126240-20-8 | COC1=C(C=CC(=C1)/C=C/C(=O)OCC(CO)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O | — | Details |
| 1,2-didehydroancistrobertsonine D | — | C[C@H]1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O | — | Details |
| 1,2-dihydrotanshinquinone | 77769-21-2 | #N/A | CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C | Details |
| 1,2-dihydroxy-6,7,8-tri-methoxy-3-methylanthraquinone | 90985-58-3 | — | — | Details |
| 1,2-dimethoxy-3-hydroxyanthraquinone | 19852-76-7 | — | COc3cc2c(=O)c1ccccc1c(=O)c2c(OC)c3O | Details |
| 1,2-dioleoyl-sn-glycero-3- phosphocholine (DOPC) | 4235-95-4 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC | Details |
| 1,2-dioleoyl-sn-glycero-3-phosphate (DOPA) | 14268-17-8 | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC | Details |
| 1,25-dihydroxyvitamin D3 | 32222-06-3 | CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C/C=C/3\CC(CC(C3=C)O)O)C | — | Details |
| 1,3,5-tri-O-benzoyl-alpha-d-ribofuranose | 22224-41-5 | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@H](O2)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4 | — | Details |
| 1,3,6-tri-O-galloyl-β-D-pyranglucose | #N/A | #N/A | #N/A | Details |
| 1,3-Dicaffeoylquinic acid | 1884-24-8 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O | — | Details |
| 1,3-O-di-p-coumaroylglycerol | — | C1=CC(=CC=C1/C=C/C(=O)OCC(O)COC(=O)/C=C/C2=CC=C(C=C2)O)O | — | Details |
| 1,3-epi-granilin | 40737-97-1 | C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)[C@H](C[C@H]2O)O)C(=C)C(=O)O3 | — | Details |
| 1,4,8-trihydroxynaphthalene-1-O-β-glucoside | — | OC[C@@H]3O[C@H](Oc1ccc(O)c2c(O)cccc12)[C@@H](O)[C@H](O)[C@H]3O | — | Details |
| 1,5-di-O-caffeoylquinic acid | 30964-13-7 | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O | — | Details |
| 1,5-diphenyl-1-pentanone | 39686-51-6 | C1=CC=C(C=C1)CCCCC(=O)C2=CC=CC=C2 | — | Details |
| 1,6-di-O-galloyl-β-D-pyranglucose | #N/A | #N/A | #N/A | Details |
| 1,7-diphenyl-4,6-heptadien-3-one | — | — | — | Details |
| 1,7-diphenyl-4E-en-3-heptanone | 79559-59-4 | C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2 | — | Details |
| 1,8-cineole | 470-82-6 | — | — | Details |
| 1-(3,4,5-trimethoxyphenyl)-1',2'-ethanediol | 116673-46-2 | #N/A | COC1=CC(=CC(=C1OC)OC)C(CO)O | Details |
| 1-(3,5-Dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one | — | — | CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)O)C | Details |
| 1-(S)-phenylethyl-β-d-glucopyranoside | — | C[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2ccccc2 | — | Details |
| 1-O-(4-hydroxybenzoyl)-glucose | 25545-07-7 | C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | — | Details |
| 1-O-acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose | 6974-32-9 | CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c4ccccc4 | — | Details |
| 1-O-caffeoyl-3-O-p- coumaroylglycerol | — | C1=CC(=CC=C1C=CC(=O)OCC(COC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | — | Details |
| 1-O-caffeoyl-β-D-glucose | 14364-08-0 | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O | — | Details |
| 1-O-ethyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose | — | CCO[C@@H]3O[C@H](COC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)[C@H]3OC(=O)c4ccccc4 | — | Details |
| 1-O-feruloyl-3-O-p-coumaroylglycerol | — | COC1=C(C=CC(=C1)/C=C/C(=O)OCC(COC(=O)/C=C/C2=CC=C(C=C2)O)O)O | — | Details |
| 1-O-feruloyl-3-p-coumaroylglycerol | — | COC1=C(C=CC(=C1)/C=C/C(=O)OCC(COC(=O)/C=C/C2=CC=C(C=C2)O)O)O | — | Details |
| 1-O-feruloyl-β-D-glucose | 64625-37-2 | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | — | Details |
| 1-O-feruloylglycerol | 120601-69-6 | COC1=C(C=CC(=C1)/C=C/C(=O)OCC(CO)O)O | — | Details |
| 1-O-galloyl-2-O-cinnamoyl-glucose | — | O=C(/C=C/c1ccccc1)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)c3cc(O)c(O)c(O)c3 | — | Details |
| 1-O-galloyl-6-O-cinnamoyl-glucose | — | O=C(/C=C/c1ccccc1)OC[C@H]3O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]3O | — | Details |
| 1-O-methyl-2,3,5-tri-O-benzoyl-α-D-ribofuranose | — | CO[C@H]3O[C@H](COC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)[C@H]3OC(=O)c4ccccc4 | — | Details |
| 1-O-methyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose | — | CO[C@@H]3O[C@H](COC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)[C@H]3OC(=O)c4ccccc4 | — | Details |
| 1-O-p-coumaroyl-β-D-glucose | 7139-64-2 | C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | — | Details |
| 1-O-p-coumaroylglycerol | — | C1=CC(=CC=C1/C=C/C(=O)OCC(CO)O)O | — | Details |
| 1-O-β-ᴅ-glucopyranosyl-8-O-benzoylpaeonisuffrone | #N/A | #N/A | #N/A | Details |
| 1-[(1-methylethyl)amino]-3-(3-methylphenoxy)-2-propanol | 2933-94-0 | #N/A | CC1=CC(=CC=C1)OCC(CNC(C)C)O | Details |
| 1-[2',4'-dihydroxy-3',5'-di-(3"-methylbut-2"-enyl)-6'-methoxy]phenylethanone | — | — | — | Details |
| 1-[3,4-Dimethoxy-5-(2-methoxy-4-prop-2-enylphenoxy)phenyl]prop-2-en-1-ol | — | C=CCc2ccc(Oc1cc(C(O)C=C)cc(OC)c1OC)c(OC)c2 | — | Details |
| 1-desmethylaurantio-obtusin | — | — | COc3c(O)cc2C(=O)C1C=C(C)C(O)=C(O)C1C(=O)c2c3O | Details |
| 1-desmethylchryso-obtusin | — | — | COc3cc2C(=O)C1C=C(C)C(O)=C(O)C1C(=O)c2c(OC)c3OC | Details |
| 1-hydroxy-2,3,5-trimethoxyxanthone | 22804-49-5 | — | — | Details |
| 1-hydroxy-2-methylanthraquinone | 6268-09-02T22:00:00.000Z | — | — | Details |
| 1-hydroxy-3-hydroxymethylanthraquinone | 51995-90-5 | — | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)CO)O | Details |
| 1-methoxycarbonyl-carboline | — | COC(=O)c2nccc3c1ccccc1[nH]c23 | — | Details |
| 1-methyl-2-[(6Z,9Z)]-6,9-pentadecadienyl-4-(1H)-quinolone | — | CCCCC/C=C\C\C=C/CCCCCc2cc(=O)c1ccccc1n2C | — | Details |
| 1-methyl-2-dodecyl-4-(1H)-quinolone | — | — | CCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C | Details |
| 1-octen-3-ol | 3391-86-4 | — | CCCCCC(C=C)O | Details |
| 1-oleoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine (18:1 LPE) | 89576-29-4 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O | Details |
| 10-Desacetylbaccatin III | 32981-86-5 | — | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O | Details |
| 10-deacetylbaccatin III | 32981-86-5 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O | Details |
| 10-gingerol | 23513-15-7 | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | — | Details |
| 10-hydroxy-N-methyl corynantheol | — | [H][C@]4(C=C)C[N@@+]3(C)CCc1c([nH]c2ccc(O)cc12)[C@]3([H])C[C@]4([H])CCO | — | Details |
| 10-hydroxycornin | — | COC(=O)C1=CO[C@H]([C@H]2[C@@]1(C(=O)CC2)C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C2C1(C(=O)CC2)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O | Details |
| 10-hydroxyhastatoside | — | COC(=O)C1=CO[C@H]([C@H]2[C@@]1(C(=O)C[C@@H]2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C2C1(C(=O)CC2CO)O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| 10-methoxytetrahydroalstonine | — | COC(=O)C4=CO[C@@H](C)[C@]5(C)CN3CCc1c([nH]c2ccc(OC)cc12)[C@]3(C)C[C@]45C | — | Details |
| 11,13-dihydro-inuchinenolide B | — | [H][C@@]23CC(C)=C1[C@H](OC(C)=O)C[C@@](C)(O)[C@]1([H])C[C@]2([H])[C@H](C)C(=O)O3 | — | Details |
| 11,13-dihydroparthenolide | — | C[C@H]1[C@@H]2CC/C(=C/CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C)/C | — | Details |
| 11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid | 57818-36-7 | #N/A | CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)O)C)C | Details |
| 11-(methylsulfinyl)-undecylglucosinolate | 186037-18-3 | CS(=O)CCCCCCCCCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\OS(=O)(=O)O[K] | — | Details |
| 11-methoxygelsemamide | — | [H][C@@]15C[C@@]4([H])/C(=C/C)CN3C(=O)[C@]1(c2ccc(OC)cc2NOC)CC3[C@@]4([H])CO5 | — | Details |
| 11β,13-dihydrolactucin | 83117-63-9 | C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O | — | Details |
| 12,13-dihydroxy-fumitremorgin C | 111427-99-7 | CC(=C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C | CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C | Details |
| 12-methoxy-Nb-methylvoachalotine | — | [H][C@@]12CC5/C(=C\C)C[N+]1(C)[C@@]([H])(Cc3c2n(C)c4c(OC)cccc34)C5(CO)C(=O)OC | — | Details |
| 12-methoxycarnosic acid | 62201-71-2 | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)OC | — | Details |
| 12β-hydroxylcinobufagin | — | CC(=O)O[C@@H]1[C@@H]([C@]2([C@@H](C[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6 | — | Details |
| 13 2-hydroxypheophorbide methyl ester | — | C=Cc1c(C)c2cc6[nH]c(c5c4nc(cc3nc(cc1n2)c(C)c3CC)c(C)c4=C(O)[C@]5(O)C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]6C | — | Details |
| 13,14-Dihydro-15-keto-PGE2 | 363-23-5 | CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | — | Details |
| 13,14-Dihydro-15-keto-PGF2α | 27376-76-7 | CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | — | Details |
| 13-Homo-13-oxa-6a,12a-dehydrodeguelin | — | — | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)OC5=CC(=C(C=C5OC4)OC)OC)C | Details |
| 13-dehydro-1β,2α,6β-trihydroxyhetisine | — | C=C3CC24C[C@@]6(O)C1[C@@]7(C)C[C@H](O)[C@@H](O)C15C2CC3C(=O)C4C5N6C7 | — | Details |
| 13-dehydro-2α,3β,6β-trihydroxyhetisine | — | C=C3CC24C[C@@]1(O)C6[C@]7(C)CN1C5C2C(=O)C3CC4C56C[C@@H](O)[C@@H]7O | — | Details |
| 13-hydroxy-3-oxo-α-inol 9-O-β-D-glucopyranoside | — | [H][C@@]2(O[C@H](C)/C=C/[C@H]1C(CO)=CC(=O)C[C@@]1(C)C)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O | — | Details |
| 14-(2-methylpropanoyl)-6-deoxybritannilactone | — | C=C1C(=O)O[C@@H]2CC(COC(=O)C(C)C)=C(C(C)CCCO)C[C@H]12 | — | Details |
| 14-(3-methylbutanoyl)-6-deoxybritannilactone | — | C=C1C(=O)O[C@@H]2CC(COC(=O)CC(C)C)=C(C(C)CCCO)C[C@H]12 | — | Details |
| 14-(3-methylpentanoyl)-6-deoxybritannilactone | — | C=C1C(=O)O[C@@H]2CC(COC(=O)CC(C)CC)=C(C(C)CCCO)C[C@H]12 | — | Details |
| 14-acetoxy-7β-(3′-ethyl-cis-crotonoyloxy)-lα-(2′-methylbutyryloxy)-notonipetranone | — | [H][C@@]12C(=C)[C@@H](OC(=O)/C=C(C)/CC)C[C@H](C(C)C)[C@@]1([H])[C@H]([C@@H](C)OC(C)=O)C(=O)[C@@H]2OC(=O)C(C)CC | — | Details |
| 14-benzoylaconine | 466-24-0 | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC | — | Details |
| 14-benzoylmesaconine | 63238-67-5 | CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC | — | Details |
| 15,16-epoxy-12-hydroxy-8(17),13(16),14-labdatrien-19-oic acid | — | C=C2CCC1[C@@](C)(C(=O)O)CCC[C@]1(C)[C@H]2C[C@H](O)c3ccoc3 | — | Details |
| 15-O-oleoyl isocupressic acid | — | C=C2CCC1[C@](C)(C(=O)O)CCC[C@]1(C)[C@H]2CC/C(C)=C/COC(=O)CCCCCCC/C=C\CCCCCCCC | — | Details |
| 15-O-palmitoylisocupressic acid | — | C=C2CCC1[C@](C)(C(=O)O)CCC[C@]1(C)[C@H]2CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC | — | Details |
| 17α- hydroxyl progesterone | 68-96-2 | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O | CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O | Details |
| 19-xo-gelsenicine | — | CON(C(=O)C1CC2N=C(C(C)=O)C3CC1OCC23)c4ccccc4 | — | Details |
| 1H-imidazole-2-carboxylic acid, butyl ester | — | CCCCOC(=O)c1ncc[nH]1 | — | Details |
| 1R, 4R sertraline | 79617-98-4 | CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | — | Details |
| 1R, 4S sertraline | 140631-53-4 | CN[C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | — | Details |
| 1S, 4R sertraline | 91797-60-3 | CN[C@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | — | Details |
| 1S, 4S sertraline | 79617-96-2 | CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl | — | Details |
| 1′′-O-glucosylcimifugin | 80681-45-4 | CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| 2'''-O-E-feruloyl-iresinin | — | COc6cc(/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(C)(O)CC(=O)O)O[C@H]2Oc5cc4C[C@@H](C(=O)[O-])[N+](=C/C=C\3C=C(C(=O)O)N[C@H](C(=O)O)C3)c4cc5O)ccc6O | — | Details |
| 2'''-O-E-sinapoyl-iresinin | — | COc6cc(/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(C)(O)CC(=O)O)O[C@H]2Oc5cc4C[C@@H](C(=O)[O-])[N+](=C/C=C\3C=C(C(=O)O)N[C@H](C(=O)O)C3)c4cc5O)cc(OC)c6O | — | Details |
| 2''-O-rhamnosylvitexin | 64820-99-1 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O | — | Details |
| 2',3,4,4'-tetrahydroxychalcone | — | CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)/C)C | — | Details |
| 2'-acetyl acetoside | 94492-24-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| 2'-acetylacteoside | 94492-24-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| 2,2',3,3',4,4',5,6'-octabromodiphenyl ether | 446255-39-6 | #N/A | C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br | Details |
| 2,2',3,3',4,4',6,6'-octabromodiphenyl ether | 117964-21-3 | #N/A | C1=C(C(=C(C(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br)Br | Details |
| 2,2',3,3',4,4',6-heptabromodiphenyl ether | 446255-19-2 | #N/A | C1=CC(=C(C(=C1OC2=C(C(=C(C=C2Br)Br)Br)Br)Br)Br)Br | Details |
| 2,2',3,3',4,5',6,6'-octabromodiphenyl ether | 446255-50-1 | #N/A | C1=C(C(=C(C(=C1Br)Br)Br)OC2=C(C(=CC(=C2Br)Br)Br)Br)Br | Details |
| 2,2',3,4,4',5',6-heptabromodiphenyl ether | 207122-16-5 | #N/A | C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br | Details |
| 2,2',3,4,4',5,5',6-octabromodiphenyl ether | 337513-72-1 | #N/A | C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br | Details |
| 2,2',3,4,4',5,5'-heptabromodiphenyl ether | 446255-26-1 | #N/A | C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br | Details |
| 2,2',4,4',5,5'-hexabromodiphenyl ether | 68631-49-2 | #N/A | C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br | Details |
| 2,2',4,4',5,6'-hexabromodiphenyl ether | 207122-15-4 | #N/A | C1=C(C=C(C(=C1Br)OC2=CC(=C(C=C2Br)Br)Br)Br)Br | Details |
| 2,3,4,6-tetra-O-(3-nitropropanoyl)-α-D-glucopyranose | — | O=C(CCN(=O)=O)OC[C@@H]1O[C@@H](O)[C@@H](OC(=O)CCN(=O)=O)[C@H](OC(=O)CCN(=O)=O)[C@H]1OC(=O)CCN(=O)=O | — | Details |
| 2,3,5,4'-Tetra hydroxystibene-2-o-D-glucoside | 82373-94-2 | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| 2,3,5,4'-tetrahydroxy stilbene-2-O-D-glucoside | 82373-94-2 | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| 2,3,5,4'-tetrahydroxy stilbene-2-O-ß-D-glucoside | 82373-94-2 | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| 2,3,5,4′-tetrahydroxystilbene-2-β-D-glucoside | 82373-94-2 | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| 2,3-di-O-isoferuloyltartaric acid | — | COc2ccc(/C=C/C(=O)OC(C(=O)O)C(OC(=O)/C=C/c1ccc(OC)c(O)c1)C(=O)O)cc2O | — | Details |
| 2,3-dihydroamentaflavone | — | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O | — | Details |
| 2,3-dihydroxybenzoic acid | 303-38-8 | C1=CC(=C(C(=C1)O)O)C(=O)O | — | Details |
| 2,3-hexahydrodiphenoyl-glucoside | 83541-37-1 | C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O | — | Details |
| 2,4',6-trihydroxy-4-methoxybenzophenone | 55051-85-9 | — | COC1=CC(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O | Details |
| 2,4,7-trihydroxy-9,10-di-hydrophenanthrene | 70205-52-6 | — | — | Details |
| 2,4-dihydroxyacetophenone | 89-84-9 | — | CC(=O)C1=C(C=C(C=C1)O)O | Details |
| 2,4-dihydroxybenzoic acid | 89-86-1 | C1=CC(=C(C=C1O)O)C(=O)O | — | Details |
| 2,5,5,8a-tetramethyl-2,4a-epoxy-4a,5,6,8a-tetrahydrochroman | — | — | — | Details |
| 2,6-di-O-(β-D-glucopyranosyl)-1-O-decanoyl-β-D-glucopyranose | 944746-18-3 | CCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| 2,6-dihydroxy-1,7,8- trimethoxy-3-methylanthraquinone | — | — | — | Details |
| 2,6-dihydroxybenzoic acid | 303-07-1 | C1=CC(=C(C(=C1)O)C(=O)O)O | — | Details |
| 2,7-dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene | 39499-93-9 | #N/A | COC1=C(C=C2CCC3=CC(=C(C(=C3C2=C1)OC)OC)O)O | Details |
| 2,7-dimethyl-2,4-diene-deca-a,ω-diacid 8-O-β-glucoside | — | [H][C@@]1(OC(CC(=O)O)C(C)C/C=C/C=C(C)/C(=O)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | — | Details |
| 2-(2-chlorophenyl)-4-(3-methylbut-2-enyl)naphtho[1,2-d] oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 2-(4-(dimethylamino)phenyl)-4-(3-methylbut-2-enyl)naphtho [1,2-d]oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 2-(4-bromomethylphenyl)propionic acid | 111128-12-2 | #N/A | CC(C1=CC=C(C=C1)CBr)C(=O)O | Details |
| 2-(4-hydroxyphenyl)-ethyl-O-β-D-glucopyranosyl-6-O-β-D-glucopyranoside | #N/A | C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O | #N/A | Details |
| 2-(4-hydroxyphenyl)propanoic acid | 938-96-5 | #N/A | CC(C1=CC=C(C=C1)O)C(=O)O | Details |
| 2-(4-isopropylphenyl)-4-(3-methylbut-2-enyl)naphtho[1,2-d] oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 2-(4-nitrophenyl)propanoic acid | 19910-33-9 | #N/A | CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O | Details |
| 2-Apiosylbetanin | — | O=C(O)C5=C/C(=C/C=[N+]/4c3cc(O)c(O[C@@H]2O[C@H](COC1OCC(O)(CO)C1O)[C@@H](O)[C@H](O)[C@H]2O)cc3C[C@H]4[C+](=O)=O)C[C@@H](C(=O)O)N5 | — | Details |
| 2-Apiosylisobetanin | — | O=C(O)C5=C/C(=C/C=[N+]/4c3cc(O)c(O[C@@H]2O[C@H](COC1OCC(O)(CO)C1O)[C@@H](O)[C@H](O)[C@H]2O)cc3C[C@H]4[C+](=O)=O)C[C@H](C(=O)O)N5 | — | Details |
| 2-O-(6-O-hexanoyl-β-D-glucopyranosyl)-6-O-(β-D-glucopyranosyl)-1-O-octanoyl-β-D-glucopyranose | — | [H][C@]3(OC[C@H]2O[C@@H](OC(=O)CCCCCCC)[C@@]([H])(O[C@@]1([H])O[C@H](COC(=O)CCCCC)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O | — | Details |
| 2-O-(6-O-octanoyl-β-D-glucopyranosyl)-6-O-(β-D-glucopyranosyl)-1-O-hexanoyl-β-D-glucopyranose | — | [H][C@]3(OC[C@H]2O[C@@H](OC(=O)CCCCC)[C@@]([H])(O[C@@]1([H])O[C@H](COC(=O)CCCCCCC)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O | — | Details |
| 2-O-(6-O-octanoyl-β-D-glucopyranosyl)-6-O-(β-D-glucopyranosyl)-1-O-octanoyl-β-D-glucopyranose | 944746-19-4 | CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)CCCCCCC)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O | — | Details |
| 2-O-Glucosyl-6-O-salicylbetanin | — | O=C(O)C6=C/C(=C/C=[N+]/5c4cc(O)c(O[C@@H]2O[C@H](COC(=O)c1ccccc1O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc4C[C@H]5[C+](=O)=O)C[C@H](C(=O)O)N6 | — | Details |
| 2-O-Glucosyl-6-O-salicylisobetanin | — | O=C(O)C6=C/C(=C/C=[N+]/5c4cc(O)c(O[C@@H]2O[C@H](COC(=O)c1ccccc1O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc4C[C@H]5[C+](=O)=O)C[C@@H](C(=O)O)N6 | — | Details |
| 2-O-caffeoyl-3-O-feruloyltartaric acid | — | COC1=C(C=CC(=C1)/C=C/C(=O)OC(C(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O | — | Details |
| 2-O-caffeoyl-3-O-isoferuloyltartaric | — | COC1=C(C=C(C=C1)/C=C/C(=O)OC(C(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O | — | Details |
| 2-O-caffeoyl-3-O-p-coumaroyltartaric acid | — | C1=CC(=CC=C1/C=C/C(=O)C(C(=O)O)(C(C(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O | — | Details |
| 2-aminoazobenzene | 2835-58-7 | #N/A | C1=CC=C(C=C1)N=NC2=CC=CC=C2N | Details |
| 2-benzoxazolinone | 59-49-4 | #N/A | C1=CC=C2C(=C1)NC(=O)O2 | Details |
| 2-caffeoyl-L-tartaric acid | 67879-58-7 | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O | — | Details |
| 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone | 70588-06-6 | — | — | Details |
| 2-hydroxy-1-methoxyaporphine | 33770-27-3 | — | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)O | Details |
| 2-hydroxy-3-butenyl-glucosinolate | 585-95-5 | C=C[C@@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O | — | Details |
| 2-hydroxy-4-methoxy-6-(2-phenylvinyl)-benzoic acid | #N/A | #N/A | #N/A | Details |
| 2-hydroxycinnamic acid | 614-60-8 | C1=CC=C(C(=C1)C=CC(=O)O)O | — | Details |
| 2-hydroxyl-3-methyl anthraquinone | #N/A | #N/A | #N/A | Details |
| 2-hydroxyl-3-methyl-1-methoxyl anthraquinone | #N/A | #N/A | #N/A | Details |
| 2-hydroxypropyl-7-theophylline | 603-00-9 | — | CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O | Details |
| 2-methoxyanofinic acid | 179457-70-6 | #N/A | CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)O)C | Details |
| 2-methyl-3-hydroxyl anthraquinone | #N/A | #N/A | #N/A | Details |
| 2-methyl-3-methoxy anthraquinone | #N/A | #N/A | #N/A | Details |
| 2-naphthaleneacetic acid 6-methoxy-α-methyl-3-bromo-2,2-dimethylpropyl ester | #N/A | #N/A | #N/A | Details |
| 20-hydroxyecdysone | 5289-74-7 | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O | Details |
| 21-hydroxyprogesterone | 64-85-7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C | CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C | Details |
| 23,24-dihydrocucurbitacin | — | CC(=O)OC(C)(C)CCC(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O | — | Details |
| 23-O-acetylshengmanol-3-O-β-D-xylopyranoside | — | [H][C@@]6([C@@H](C[C@@H](C)[C@@]4([H])C(=O)[C@H](O)[C@@]5(C)[C@]3([H])CC[C@@]2([H])C(C)(C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(C)[C@]3(C)CC[C@]45C)OC(C)=O)OC6(C)C | — | Details |
| 24-hydroxytormentic acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl, 3'-O-β-D-glucopyranosyl) glucopyranosyl ester | — | [H][C@]67CC=C4[C@@](C)(CC[C@@]5(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@@H](C)[C@@](C)(O)[C@@]45[H])[C@]6(C)CC[C@@]8([H])[C@@](C)(CO)[C@@H](O)[C@H](O)C[C@]78C | — | Details |
| 24-hydroxyursolic acid | — | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O | — | Details |
| 24-methylene-cycloartenol | — | C=C(CC[C@@H](C)C1CC[C@]4(C)[C@]1(C)CC[C@@]25C[C@@]23CCC(O)[C@](C)(C)C3CC[C@@]45C)C(C)C | — | Details |
| 24-methylenecholesterol | 474-63-5 | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | — | Details |
| 24-methylenecycloartanyl ferulate | — | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C | — | Details |
| 24-methylenecycloartenyl ferulate | 469-36-3 | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C | — | Details |
| 25-O-acetylcimigenol-3-O-β-D-xylopyranoside | 27994-12-3 | C[C@@H]1C[C@@H]2[C@H](O[C@@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)OC8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)OC(=O)C | — | Details |
| 26-O-β-D-glucopyranosyl-(25R)-furost-5,20(22)-diene-3β,26-diol-3-O-[β-D-glucopyranosyl-(1→4)-α-L-rhamnopyranosyl(1→2)]-β-D-glucopyranoside | — | CC9=C(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC%10CC8C7CC=C6CC(O[C@@H]3O[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]3O[C@@H]5O[C@H](O)[C@@H](O)[C@H](O[C@@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]5O)CC[C@]6(C)C7CC[C@]8(C)C9%10 | — | Details |
| 26-O-β-D-glucopyranosyl-(25R)-furost-5,20(22)-diene-3β,26-diol-3-O-{α-L-rhamnopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→2)]}-β-D-glucopyranoside | — | CC8=C(CC[C@H](C)CO[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC9CC7C6CC=C5CC(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]5(C)C6CC[C@]7(C)C89 | — | Details |
| 26-O-β-D-glucopyranosyl-(25R)-furost-5-en-3β,22ζ, 26-triol-3-O-[β-D-glucopyranosyl(1→3)-α-L-rhamnopyranosyl(1→2)]-β-D-glucopyranoside | — | CC8=C(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC9CC7C6CC=C5CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]4O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]4O)CC[C@]5(C)C6CC[C@]7(C)C89 | — | Details |
| 26-O-β-D-glucopyranosyl-(25R)-furost-5-en-3β,22ζ, 26-triol-3-O-[β-D-glucopyranosyl-(1→3)-β-D-glucopyranol-(1→4)-α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside | — | C[C@@H](CCC8(O)OC7CC6C5CC=C4CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]4(C)C5CC[C@]6(C)C7[C@@H]8C)O[C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O | — | Details |
| 26-O-β-D-glucopyranosyl-(25R)-furost-5-en-3β,22ζ,26-triol-3-O-[α-L-rhamnopyranosyl(1→4)]-β-D-glucopyranoside | — | C[C@@H](CCC7(O)OC6CC5C4CC=C3CC(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@H]2O)CC[C@]3(C)C4CC[C@]5(C)C6[C@@H]7C)O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O | — | Details |
| 28-nor-17,22-seco-2α,3β,19,22,23-pentahydroxy-Δ12-oleanane | — | [H][C@@]4(O)C[C@]3(C)C2CC=C1[C@]([H])(C(C)C(C)(C)CCO)CCC[C@@]1(C)[C@]2(C)CCC3[C@](C)(CO)[C@@]4([H])O | — | Details |
| 2α,3α,19β,23β-tetrahydroxyurs-12-en-28-oic acid | 89786-84-5 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | — | Details |
| 2α,3α,23β-trihydroxyurs-12-en-28-oic acid | 464-92-6 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O | — | Details |
| 2β,3β,4β-trihydroxypregnan-16-one | — | CC[C@H]3C(=O)CC4C2CCC1C(O)C(O)C(O)C[C@]1(C)C2CC[C@]34C | — | Details |
| 2′-O-(3-galloyl-4,6-O-Sa-hexahydroxydiphenoyl-β-D-glucopyranosyl)-3-hydroxyphloretin | — | O=C(CCC1=CC(=C(C=C1)O)O)C2=C(C=C(C=C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O[C@@H]7O[C@@H]6COC(=O)C4=C(C(=C(C(=C4)O)O)O)C5=C(C=C(C(=C5O)O)O)C(=O)O[C@H]6[C@H](O)[C@H]7O | — | Details |
| 2′-O-(4,6-O-Sa-hexahydroxydiphenoyl-β-D-glucopyranosyl)-3-hydroxyphloretin | — | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3C(=O)CCC4=CC(=C(C=C4)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O | — | Details |
| 2′-O-(6-O-galloyl-β-D-glucopyranosyl)-3-hydroxyphloretin | — | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O)O | — | Details |
| 2′-acetyl verbascoside | #N/A | #N/A | #N/A | Details |
| 2′′,3′′-dihydro-3′,3′′′-biapigenin | — | O=C5C[C@@H](c4ccc(O)c(c3cc(c2cc(=O)c1c(O)cc(O)cc1o2)ccc3O)c4)Oc6cc(O)cc(O)c56 | — | Details |
| 2′′-O-acetylplatycodin D | 66779-34-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)OC(=O)C)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| 2′′-O-acetylpolygalacin | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)(C)C)O)O)OC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| 3',4',7-trimethoxyquercetin | 6068-80-0 | — | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OC | Details |
| 3',5,5',7-tetrahydroxyflavanonol | — | — | C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| 3',5-dihydroxy-4',7-dimethoxyflavanone | 28590-40-1 | — | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O | Details |
| 3'-O-methylbatatasin III | 101330-69-2 | #N/A | COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)O | Details |
| 3'-deoxysappanol | — | C1[C@@]([C@H](C2=C(O1)C=C(C=C2)O)O)(CC3=CC=C(C=C3)O)O | — | Details |
| 3'-hydroxygenkwanin | 20243-59-8 | — | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O | Details |
| 3'-hydroxyl-puerarin | 117060-54-5 | O=c3c(c1ccc(O)c(O)c1)coc4c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)ccc34 | — | Details |
| 3'-hydroxyltectoridin | — | COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| 3'-methoxy-puerarin | — | COc4cc(c3coc2c([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)ccc2c3=O)ccc4O | — | Details |
| 3,3'-di-O-methylellagic acid | 2239-88-5 | — | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O | Details |
| 3,3'-di-O-methylellagic acid-4'-O-ß-D-glucopyranoside | 51803-68-0 | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| 3,3′,4′-tri-O-methyl-quercetin | 14549-84-9 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)OC | — | Details |
| 3,3′-di-O-methyl-4-O-(β-D-xylopyranosyl)-ellagic acid | — | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O | — | Details |
| 3,3′-di-O-methylquercetin | 4382-17-6 | — | — | Details |
| 3,3′-dimethoxy ellagic acid | 2239-88-5 | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O | — | Details |
| 3,4'-dihydroxy-5,5'-dimethoxybibenzyl | 83088-28-2 | #N/A | #N/A | Details |
| 3,4,5-Trihydroxy-4-(3-methylbut-2-enyl)-5-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one | — | — | CC(C)C(=O)C1=C(C(C(C1=O)(C(=O)CC=C(C)C)O)(CC=C(C)C)O)O | Details |
| 3,4,6-tri-O-(3-nitropropanoyl)-α-D-glucopyranose | — | O=C(CCN(=O)=O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OC(=O)CCN(=O)=O)[C@H]1OC(=O)CCN(=O)=O | — | Details |
| 3,4-Dihydroxybenzoic acid | 99-50-3 | C1=CC(=C(C=C1C(=O)O)O)O | — | Details |
| 3,4-O-dicaffeoylquinic acid | 14534-61-3 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | — | Details |
| 3,4-di-O-caffeoylquinic acid | 14534-61-3 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | — | Details |
| 3,4-dicaffeoylquinic acid | 14534-61-3 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | — | Details |
| 3,4-dicaffeoylquinic acid | 14534-61-3 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | Details |
| 3,4-dihydroxy benzoic acid | 99-50-3 | — | C1=CC(=C(C=C1C(=O)O)O)O | Details |
| 3,4-dihydroxy-7,8-dihydro-β-ionone-3-O-β-D-glucopyranoside | — | CC(=O)CCC2=C(C)C(O)C(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CC2(C)C | — | Details |
| 3,4-dihydroxyphenyllactic acid | 23028-17-3 | C1=CC(=C(C=C1CC(C(=O)O)O)O)O | — | Details |
| 3,5,6,7,8,3′,4′-heptamethoxyflavone | 1178-24-1 | — | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC | Details |
| 3,5-O-dicaffeoylquinic acid | 2450-53-5 | C1C(C(C(C[C@@]1(C(=O)O)O)OC(=O)C=CC2=CC(=CC(=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O | — | Details |
| 3,5-O-dicaffeoylquinic acid | 89919-62-0 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O) | — | Details |
| 3,5-di-O-caffeoylquinic acid | 89919-62-0 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O) | — | Details |
| 3,5-dicaffeoylquinic acid | 89919-62-0 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O) | — | Details |
| 3,5-dicaffeoylquinic acid | 89919-62-0 | C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O | Details |
| 3,5-dihydroxy-4′-methoxystilbene-3-O-β-d-glucopyranoside | #N/A | — | — | Details |
| 3,5-dihydroxy-6,7-megastigmadien-9-one-5-O-β-D-glucopyranoside | 120330-44-1 | — | — | Details |
| 3,5-dihydroxy-7-methoxyflavanone | 480-13-7 | — | COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=CC=C3)O | Details |
| 3,5-dihydroxybenzoic acid | 99-10-5 | — | C1=C(C=C(C=C1O)O)C(=O)O | Details |
| 3,7,3′,4′-tetra-O-methyl-quercetin (retusin) | — | — | — | Details |
| 3,7-di-O-methyl-kaempferol (kumatakenin) | — | — | — | Details |
| 3,7-diacetyl lycopsamine | — | CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(C)=O)C12)C(C)C | — | Details |
| 3-(5-hydroxy-4-(3-methylbut-2-enyl)naphtho[1,2-d]oxazol-2-yl) benzonitrile | #N/A | #N/A | #N/A | Details |
| 3-O-(2-O-acetyl)-α-L-arabinopyranosyl-hederagenin 28-O-β-D-glucopyranosyl-(1-6)-β-D-glucopyranoside | — | CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O[C@H]8CC[C@]7(C)[C@H]6CC=C5[C@@H]2CC(C)(C)CC[C@]2(C(=O)O[C@@H]4O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]5(C)[C@]6(C)CC[C@H]7[C@]8(C)CO | — | Details |
| 3-O-(3-O-acetyl)-α-L-arabinopyranosyl-hederagenin 28-O-β-D-glucopyranosyl-(1-6)-β-D-glucopyranoside | — | CC(=O)O[C@H]8[C@@H](O)CO[C@@H](O[C@H]7CC[C@]6(C)[C@H]5CC=C4[C@@H]1CC(C)(C)CC[C@]1(C(=O)O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]4(C)[C@]5(C)CC[C@H]6[C@]7(C)CO)[C@@H]8O | — | Details |
| 3-O-(4-O-acetyl)-α-L-arabinopyranosyl-hederagenin 28-O-β-D-glucopyranosyl-(1-6)-β-D-glucopyranoside | 126778-93-6 | CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C)C)C | — | Details |
| 3-O-[6-O-[2,5-di-O-(E)-α-L-arabinofuranosyl]-β-D-glucopyranosyl]-7,3'-di-O-[6-O-(E)-ferulyl-β-D-glucopyranosyl]cyanidin | — | COc%11cc(/C=C/C(=O)OCC%10OC(Oc9cc(O)c8cc(OC4OC(COC2OC(COC(=O)/C=C/c1ccc(O)c(OC)c1)C(O)C2OC(=O)/C=C/c3ccc(O)c(OC)c3)C(O)C(O)C4O)c(c7ccc(O)c(OC6OC(COC(=O)/C=C/c5ccc(O)c(OC)c5)C(O)C(O)C6O)c7)[o+]c8c9)C(O)C(O)C%10O)ccc%11O | — | Details |
| 3-O-[β-D-glucuronopyranosyl-(1→2)-β-D-galactopyranosyl]glycyrrhetic acid | — | C[C@]3(C)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]4(C)C3CC[C@]7(C)C4C(=O)C=C6C5CC(C)(C(=O)O)CC[C@]5(C)CC[C@]67C | — | Details |
| 3-O-[β-D-xylopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranosyl]-hederagenin | — | C[C@@H]8O[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O[C@H]6CC[C@]5(C)C4CC=C3C2CC(C)(C)CC[C@]2(C(=O)O)CC[C@@]3(C)[C@]4(C)CCC5[C@@]6(C)CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]8O | — | Details |
| 3-O-caffeoyl-γ-quinide | — | C1[C@@H]2[C@@H]([C@@H](C[C@]1(C(=O)O2)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | — | Details |
| 3-O-caffeoylquinic acid | 327-97-9 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| 3-O-glucosylsitosterol | 474-58-8 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C | — | Details |
| 3-O-methylellagic acid 4'-O-β-D-glucopyranoside | — | COc2cc3oc(=O)c5c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)cc4oc(=O)c(c2O)c3c45 | — | Details |
| 3-O-methylpyridoxine | 633-72-7 | #N/A | CC1=NC=C(C(=C1OC)CO)CO | Details |
| 3-O-methylquercetin | 1486-70-0 | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O | Details |
| 3-O-trans-p-coumaroylquinic acid | 87099-71-6 | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O | — | Details |
| 3-O-ß-D-glucopyranosyl-(1-2)-α-L-arabinopyranosyl oleanolic acid-28-O-ß-D-glucopyranosyl-(1-6)-ß-D-glucopyranoside | — | CC9(C)CC[C@]8(C(=O)O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]7(C)C(=CC[C@@H]6[C@@]5(C)CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@](C)(C)[C@@H]5CC[C@]67C)[C@@H]8C9 | — | Details |
| 3-O-α-L-arabinopyranosyl-3,4-dihydroxybenzoic acid | — | O=C(O)c2ccc(O)c(O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)c2 | — | Details |
| 3-O-α-L-arabinopyranosyl-hederagenin-28-O-ß-D-glucopyranosyl-(1-6)-ß-D-glucopyranoside | 120481-38-1 | CC8(C)CC[C@]7(C(=O)O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]6(C)C(=CC[C@@H]5[C@@]4(C)CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@](C)(C)[C@@H]4CC[C@]56C)[C@@H]7C8 | — | Details |
| 3-O-β-D-Sophorosylkaempferol-7-O-{3-O-[2(E)-2,6-dimethyl-6-hydroxyocta-2,7-dienoyl]}-α-L-rhamnoside | #N/A | #N/A | #N/A | Details |
| 3-O-β-D-galactopyranosyl-(1→2)-[β-D-dgalactopyranosyl-(1→3)]-β-D-glucuronopyranosyl-quillaic acid | — | CC7(C)CC[C@]6(C(=O)O)CC[C@]5(C)C(=CCC4[C@@]3(C)CC[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@](C)(C=O)C3CC[C@]45C)C6C7.CC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | — | Details |
| 3-O-β-D-galactopyranosyl-(1→2)-β-D-xylopyranosyl-(1→3)]-β-D-glucuronopyranosyl gypsogenin 28-O-β-D-glucopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→4)]-α-L-rhamnopyranosyl-(1→2)-β-D-fucopyranoside | — | C[C@H]%12O[C@@H](OC(=O)[C@]18CCC(C)(C)CC1C7=CCC6[C@@]5(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@](C)(C=O)C5CC[C@@]6(C)[C@]7(C)CC8)[C@H](O[C@@H]%11O[C@@H](C)[C@H](O[C@@H]%10OC[C@@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]%10O)[C@@H](O)[C@H]%11O)[C@@H](O)[C@H]%12O | — | Details |
| 3-O-β-D-glucopyranosylsitosterol | 474-58-8 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C | — | Details |
| 3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 5041-68-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O | — | Details |
| 3-acetyl lycopsamine | — | CC(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12 | — | Details |
| 3-acetyl-5-hydroxy-7-methoxyflavanone | — | — | CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=CC=C3 | Details |
| 3-butenyl-glucosinolate | — | C=CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | — | Details |
| 3-butylidenephthalide | 72917-31-8 | CCC/C=C\1/C2=CC=CC=C2C(=O)O1 | — | Details |
| 3-caffeoylquinic acid | 327-97-9 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| 3-chloromandelic acid | 16273-37-3 | #N/A | C1=CC(=CC(=C1)Cl)C(C(=O)O)O | Details |
| 3-deoxohirsutenonol-5-O-β-D-glucopyranoside | — | C1=CC(=C(C=C1CCCCC(CCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| 3-deoxysappanone B | 113122-54-6 | — | C1C(C(=O)C2=C(O1)C=C(C=C2)O)CC3=CC(=C(C=C3)O)O | Details |
| 3-epi-dehydrotumulosic acid | #N/A | #N/A | #N/A | Details |
| 3-epi-deoxynivalenol | #N/A | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@@H]([C@H]([C@@]34CO4)O2)O)C)CO | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO | Details |
| 3-hydrophloridzin | — | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O | — | Details |
| 3-hydroxycinnamic acid | 588-30-7 | C1=CC(=CC(=C1)O)/C=C/C(=O)O | — | Details |
| 3-hydroxygenkwanin | 20243-59-8 | — | — | Details |
| 3-hydroxylgenkwanin | 20243-59-8 | — | — | Details |
| 3-hydroxyparthenolide | — | C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](O)[C@@]3(C)O[C@@H]23 | — | Details |
| 3-hydroxyphloridzin | #N/A | #N/A | #N/A | Details |
| 3-hydroxytyrosol | 10597-60-1 | #N/A | C1=CC(=C(C=C1CCO)O)O | Details |
| 3-isomangostin | 19275-46-8 | — | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(CC4)(C)C)O)O)OC)C | Details |
| 3-keto-deoxynivalenol | #N/A | #N/A | #N/A | Details |
| 3-ketocinobufagin | — | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CCC5[C@@]3(CCC(=O)C5)C)C)C6=COC(=O)C=C6 | — | Details |
| 3-ketodehydrosulphurenic | — | — | C=C(CCC(C(=O)O)C3CC(O)C4(C)C2=CCC1C(C)(C)C(=O)CCC1(C)C2=CCC34C)C(C)C | Details |
| 3-methoxy-5-(2-phenylethenyl)-phenol | 5150-38-9 | — | COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2 | Details |
| 3-methylcanthin-2,6-dione | 82652-21-9 | — | CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2 | Details |
| 3-n-butyl phthalide | 6066-49-5 | CCCCC1C2=CC=CC=C2C(=O)O1 | — | Details |
| 3-n-butylphthalide | 6066-49-5 | CCCCC1C2=CC=CC=C2C(=O)O1 | — | Details |
| 3-o-acetyl-16α-hydroxydehydrotrametenolic acid | #N/A | #N/A | #N/A | Details |
| 3-phenylethyl β-D-glucopyranoside | — | OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](OCCc1ccccc1)[C@@H]2O | — | Details |
| 3-phenyllactic acid | 828-01-3 | #N/A | C1=CC=C(C=C1)CC(C(=O)O)O | Details |
| 3-sulfophthalic acid | 67892-43-7 | — | — | Details |
| 3-α-O-acetyl-ß-boswellic acid | 5968-70-7 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C | — | Details |
| 3-α-O-acetyl-α-boswellic acid | 89913-60-0 | CC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C | — | Details |
| 3H-albuterol | — | CC(C)(C)NCC(O)([3H])c1ccc(O)c(CO)c1 | — | Details |
| 3a-hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione | 55604-88-1 | — | C1C2C(CC(=O)O2)(C=CC1=O)O | Details |
| 3α-angeloyloxy-ent-kaur-16-en-oic acid | #N/A | #N/A | #N/A | Details |
| 3α-phenylpropionoyloxy-ent-kaur-16-en-oic acid | #N/A | #N/A | #N/A | Details |
| 3α-senecioyloxy-ent-kaur-16-en-oic acid | #N/A | #N/A | #N/A | Details |
| 3α-tigloyloxy-ent-kaur-16-en-oic acid | #N/A | #N/A | #N/A | Details |
| 3β,16α-dihydroxylanosta-7, 9(11), 24-trien-21-oic acid | #N/A | #N/A | #N/A | Details |
| 3β-acetoxy-19(29)-taraxasten-20α-ol | — | C=C5C4C3CCC2[C@@]1(C)CCC(OC(C)=O)[C@](C)(C)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C)CC[C@@]5(C)O | — | Details |
| 3β-hydroxy-8β-[4'-hydroxytigloyloxy]-costunolide | 108657-10-9 | C/C/1=C\C[C@@H](/C(=C/[C@@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2)/C)O | — | Details |
| 3β-hydroxycostunolide | — | C=C1C(=O)O[C@@H]2/C=C(C)/[C@@H](O)C/C=C(C)/CC[C@@H]12 | — | Details |
| 3β-masticadienolic acid | #N/A | C[C@@H](CC/C=C(\C)/C(=O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C | Details |
| 3′,3′′′-binaringenin | — | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C=CC(=C4)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O | — | Details |
| 3′′-O-acetylplatycodin D | 66779-34-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)OC(=O)C)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| 3′′-O-acetylpolygalacin D | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)OC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| 4'''-O-rhamnosylrutin | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O | — | Details |
| 4''-O-glucosylvitexin | — | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O | — | Details |
| 4'-Demethylpodophyllotoxin | 40505-27-9 | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O | — | Details |
| 4'-demethylpodophyllotone | #N/A | — | — | Details |
| 4'-dimethyl-podophyllotoxin | 40505-27-9 | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O | — | Details |
| 4'-hydroxyacetophenon | 99-93-4 | — | — | Details |
| 4,5-O-dicaffeoylquinic acid | — | C1[C@H]([C@H]([C@H](C[C@@]1(C(=O)OC(=O)CC(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | — | Details |
| 4,5-di-O-caffeoylquinic acid | 89886-30-6 | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | — | Details |
| 4,5-dicaffeoylquinic acid | 89886-30-6 | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O | Details |
| 4,7,10,13,16,19-docosahexaenoic acid | 2091-24-9 | CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O | Details |
| 4-(1-hydroxyprop-2-enyl)-2-methoxy-6-(2-methoxy-4-prop-2-enylphenoxy)phenol | — | — | COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2O)OC)C(C=C)O | Details |
| 4-(2-Chloroethyl)morpholine | 3240-94-6 | — | C1COCCN1CCCl | Details |
| 4-(3-methylbut-2-enyl)-2-m-toluylnaphtho[1,2-d]oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 4-(3-methylbut-2-enyl)-2-p-toluylnaphtho[1,2-d]oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 4-(3-methylbut-2-enyl)-2-phenylnaphtho[1,2-d]oxazol-5-ol | #N/A | #N/A | #N/A | Details |
| 4-(4'-O-β-D-glucopyranosyl-4'-hydroxy-3'-methoxyphenyl)-2-butanone | — | COc1cc(CCC(C)=O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | — | Details |
| 4-Hydroxybenzaldehyde | 123-08-0 | — | C1=CC(=CC=C1C=O)O | Details |
| 4-O-Methylhonokiol | 68592-15-4 | — | COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)CC=C | Details |
| 4-O-beta-D-glucosyl-4-coumaric acid | 14364-05-7 | C1=CC(=CC=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| 4-O-caffeoyl-muco-γ-quinide | — | C1[C@H]([C@@H]([C@@H]2C[C@]1(C(=O)O2)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | — | Details |
| 4-O-methylalpinumisoflavone | 27762-87-4 | — | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)OC)C | Details |
| 4-O-methylorsellinic acid | #N/A | #N/A | #N/A | Details |
| 4-O-methylsappanol | 104778-16-7 | CO[C@H]1C2=C(C=C(C=C2)O)OC[C@@]1(CC3=CC(=C(C=C3)O)O)O | — | Details |
| 4-O-β-D-glucopyranosyl-Z-4-hydroxycinnamic acid | 117405-48-8 | C1=CC(=CC=C1/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| 4-O-β-D-glucosyl-trans-p-coumaric acid | 14364-05-7 | C1=CC(=CC=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| 4-[6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranosyloxy]-3-methoxybenzoic acid | #N/A | #N/A | #N/A | Details |
| 4-bromomandelic acid | 6940-50-7 | #N/A | C1=CC(=CC=C1C(C(=O)O)O)Br | Details |
| 4-caffeoylquinic acid | 905-99-7 | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O | — | Details |
| 4-epi-isoxanthanol | — | C[C@H]1C[C@H]2[C@H](CC=C1C(CC(C)O)OC(=O)C)C(=C)C(=O)O2 | — | Details |
| 4-epi-niga-ichigoside F1 | — | C[C@@H]6CC[C@]5(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]4(C)C(=CC[C@@H]3C2(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]34C)[C@@H]5[C@]6(C)O | — | Details |
| 4-epi-xanthanol | — | C=C1C(=O)O[C@H]2C[C@H](C)C(C(O)CC(C)OC(C)=O)=CC[C@H]12 | — | Details |
| 4-ethylbenzene-1,3-diol | 2896-60-8 | — | CCC1=C(C=C(C=C1)O)O | Details |
| 4-hydroxy benzoic acid | 99-96-7 | C1=CC(=CC=C1C(=O)O)O | C1=CC(=CC=C1C(=O)O)O | Details |
| 4-hydroxy-1-methyl-L-Pro | 4252-82-8 | CN1C[C@@H](C[C@H]1C(=O)O)O | — | Details |
| 4-hydroxy-3-methoxymandelic acid | 55-10-7 | #N/A | COC1=C(C=CC(=C1)C(C(=O)O)O)O | Details |
| 4-hydroxyacetophenone | 99-93-4 | — | CC(=O)C1=CC=C(C=C1)O | Details |
| 4-hydroxybenzoic acid | 99-96-7 | — | — | Details |
| 4-hydroxycinnamic acid | 501-98-4 | O=C(O)/C=C/c1ccc(O)cc1 | — | Details |
| 4-hydroxyderricin | 55912-03-3 | CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)C | Details |
| 4-methoxy-5-hydroxycanthin-6-one | 18110-86-6 | — | COC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)O | Details |
| 4-sulfophthalic acid | 1989-08-06T22:00:00.000Z | — | — | Details |
| 4-{2-[(1-{3,4-dimethoxy-5-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]phenyl}prop-2-en-1-yl)oxy]-1-hydroxypropyl}-2-methoxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]phenol | — | C=CCC1=CC(=C(C=C1)OC2=C(C(=CC(=C2)C(O)C(C)OC(C=C)C3=CC(=C(C(=C3)OC)OC)OC4=C(C=C(C=C4)CC=C)OC)OC)O)OC | — | Details |
| 4H-tomentosin | — | C[C@H]1C[C@@H]2[C@H](CC=C1CCC(C)O)C(=C)C(=O)O2 | — | Details |
| 4α-phorbol | 26241-63-4 | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@@]4(CC(=C3)CO)O)C)O)O)O | — | Details |
| 4β,12α-dihydroxylcinobufagin | — | CC(=O)O[C@@H]1[C@@H]([C@]2([C@H](C[C@H]3[C@H]([C@@]24[C@@H]1O4)CCC5[C@@]3(CC[C@@H]([C@@H]5O)O)C)O)C)C6=COC(=O)C=C6 | — | Details |
| 4′,5-dihydroxy-3′,7-dimethoxyflavanone | 66568-98-7 | — | COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)OC)O | Details |
| 4′,5′-dimethoxy-6,6-dimethylpyranoisoflavone | — | — | COc4ccc(c3coc2c1C=CC(C)(C)Oc1ccc2c3=O)cc4OC | Details |
| 4′-O-methyl-robustaflavone | — | — | COc3ccc(c2cc(=O)c1c(O)cc(O)cc1o2)cc3c6c(O)cc5oc(c4ccc(O)cc4)cc(=O)c5c6O | Details |
| 4′-O-β-D-glucosyl-5-O-methylvisamminol | — | COc3c2CC(C(C)(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)Oc2cc4oc(C)cc(=O)c34 | — | Details |
| 4′-demethylpodophyllotoxin | 40505-27-9 | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O | COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O | Details |
| 5' Adenilic acid | 61-19-8 | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N | — | Details |
| 5,4′-dihydroxy-3,7,3′-trimethoxyflavone | 33708-72-4 | — | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O | Details |
| 5,4′-dihydroxyflavone-3,6-di-O-β-D-glucoside-7-O-β-D-glucuronide | — | O=C(O)[C@H]6O[C@@H](Oc4cc3oc(c1ccc(O)cc1)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)c3c(O)c4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@@H]6O | — | Details |
| 5,6,7,4'-tetrahydroxyflavone | 529-53-3 | — | O=c2cc(c1ccc(O)cc1)oc3cc(O)c(O)c(O)c23 | Details |
| 5,6,7,8,4'-pentamethoxyflavone | 112448-39-2 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O | Details |
| 5,6,7,8-Tetrahydro-6-methyl-3-methoxy-1,6,9-trihydroxy-2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]anthracen-8-one | — | CC(=CCC/C(=C/CC1=C(C2=C(C3=C(CC(CC3=O)(C)O)C=C2C=C1OC)O)O)/C)C | — | Details |
| 5,7,2′,6′-tetrahydroxy-6,8-di-(γ,γ-dimethylallyl)-flavanone | — | C/C(C)=C\Cc3c(O)c(C/C=C(C)/C)c2oc(c1c(O)cccc1O)cc(=O)c2c3O | — | Details |
| 5,7,3',4' -tetrahydroxy-6-methoxyflavanone-7-glucoside | — | COc4c(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)cc3oc(c2ccc(O)c(O)c2)cc(=O)c3c4O | — | Details |
| 5,7,3',4',5'-pentamethoxyflavone | — | — | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)O | Details |
| 5,7,4'-trihydroxy-6,3',5'-trimethoxyisoflavone | — | — | COc3cc(c2cc(=O)c1c(O)c(OC)c(O)cc1o2)cc(OC)c3O | Details |
| 5,7,4'-trihydroxy-8-(2-hydroxy-3-methylbutenyl)-flavanone | — | — | — | Details |
| 5,7-dihydroxy-3',4'-dihydroxyflavone-3-O-6"-rhamnose | 522-12-3 | — | — | Details |
| 5,7-dihydroxy-3',4'-trihydroxyflavone-3-O-6"-rhamnose | 17912-87-7 | — | — | Details |
| 5,7-dihydroxy-6-(3-methybut-2-enyl)-isobenzofuran-1(3H)-one | — | — | C/C(C)=C/Cc2c(O)cc1COC(=O)c1c2O | Details |
| 5,7-dihydroxychromen-4-one | 31721-94-5 | — | — | Details |
| 5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid | — | — | CC1(C=CC2=C(C(=CC(=C2O1)OC)CCC(=O)O)OC)C | Details |
| 5-((4E)-2′-oxo-pentenyl)-2-hydroxymethylchromone | — | C/C=C/C(=O)CC1=C2C(=CC=C1)OC(=CC2=O)CO | — | Details |
| 5-(2′-methylbut-3′-en-1′-ol)indole | — | [H]C(C)(/C=C/c2ccc1[nH]ccc1c2)CC | — | Details |
| 5-(3-buten-1-ynyl)-2,2'-bithienyl | 1134-61-8 | — | C=CC#CC1=CC=C(S1)C2=CC=CS2 | Details |
| 5-(3-penten-1-ynyl)-2,2'-bithienyl | — | — | CC=CC#CC1=CC=C(S1)C2=CC=CS2 | Details |
| 5-(4′-methyl-2′,5′-dihydrofuran-2′-yl)indole | — | CC3=CC(c2ccc1[nH]ccc1c2)OC3 | — | Details |
| 5-(but-3′-en-2′-one)indole | — | CC(=O)/C=C/c2ccc1[nH]ccc1c2 | — | Details |
| 5-Hydroxy-6,7,8,3',4',5'-hexamethoxyflavon-3-ol | — | — | — | Details |
| 5-O-E-Feruloyl-2-apiosylbetanin | — | COc6cc(/C=C/C(=O)O[C@H]5[C@H](O)[C@@H](OC1OCC(O)(CO)C1O)[C@H](Oc4cc3C[C@@H]([C+](=O)=O)/[N+](=C\C=C/2C=C(C(=O)O)N[C@H](C(=O)O)C2)c3cc4O)O[C@@H]5CO)ccc6O | — | Details |
| 5-O-E-Feruloyl-2-apiosylisobetanin | — | COc6cc(/C=C/C(=O)O[C@H]5[C@H](O)[C@@H](OC1OCC(O)(CO)C1O)[C@H](Oc4cc3C[C@@H]([C+](=O)=O)/[N+](=C\C=C/2C=C(C(=O)O)N[C@@H](C(=O)O)C2)c3cc4O)O[C@@H]5CO)ccc6O | — | Details |
| 5-O-E-Sinapoyl-2-apiosylbetanin | — | COc6cc(/C=C/C(=O)O[C@H]5[C@H](O)[C@@H](OC1OCC(O)(CO)C1O)[C@H](Oc4cc3C[C@@H]([C+](=O)=O)/[N+](=C\C=C/2C=C(C(=O)O)N[C@H](C(=O)O)C2)c3cc4O)O[C@@H]5CO)cc(OC)c6O | — | Details |
| 5-O-E-Sinapoyl-2-apiosylisobetanin | — | COc6cc(/C=C/C(=O)O[C@H]5[C@H](O)[C@@H](OC1OCC(O)(CO)C1O)[C@H](Oc4cc3C[C@@H]([C+](=O)=O)/[N+](=C\C=C/2C=C(C(=O)O)N[C@@H](C(=O)O)C2)c3cc4O)O[C@@H]5CO)cc(OC)c6O | — | Details |
| 5-O-Salicyl-2-O-apiosylbetanin | — | O=C(O)C6=C/C(=C/C=[N+]/5c4cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)c1ccccc1O)[C@H](O)[C@H]2OC3OCC(O)(CO)C3O)cc4C[C@H]5[C+](=O)=O)C[C@H](C(=O)O)N6 | — | Details |
| 5-O-Salicyl-2-O-apiosylisobetanin | — | O=C(O)C6=C/C(=C/C=[N+]/5c4cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](OC(=O)c1ccccc1O)[C@H](O)[C@H]2OC3OCC(O)(CO)C3O)cc4C[C@H]5[C+](=O)=O)C[C@@H](C(=O)O)N6 | — | Details |
| 5-O-caffeoyl-epi-δ-quinide | — | O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]2C[C@@]3(O)C[C@@H](O)[C@@H]2OC3=O | — | Details |
| 5-O-methylpyridoxine | #N/A | #N/A | CC1=NC=C(C(=C1O)CO)COC | Details |
| 5-O-methylvisamminol | 80681-42-1 | CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC | — | Details |
| 5-[(6',7'-dihydroxy-3',7'-dimethyl-2-octenyl) oxy] psoralen | #N/A | #N/A | #N/A | Details |
| 5-[(7',8'-dihydroxy-3',8'-dimethyl-2-nonadienyl)oxy] psoralen | #N/A | #N/A | #N/A | Details |
| 5-[4-(methoxymethyl)furan-2-yl]indole | — | COCc3coc(c2ccc1[nH]ccc1c2)c3 | — | Details |
| 5-[4-(methyl)furan-2-yl]-indole | — | Cc3coc(c2ccc1[nH]ccc1c2)c3 | — | Details |
| 5-[5′-(3-methylfuran-2′(5′H)-one)]indole | — | CC3=CC(c2ccc1[nH]ccc1c2)OC3=O | — | Details |
| 5-[methyl-4′-(2′-methyl-4-oxobutanoate)]indole | — | [H]C(C)(CC(=O)c2ccc1[nH]ccc1c2)C(=O)OC | — | Details |
| 5-amino-4-hydroxy-3,6-bis-phenylazo-naphthalene-2,7-disulfonic acid | #N/A | #N/A | C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4)N)O | Details |
| 5-amino-4-hydroxy-3-phenylazo-naphthalene-2,7-disulfonic acid | 2203-16-9 | #N/A | C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N)O | Details |
| 5-demethylnobiletin | 2174-59-6 | — | — | Details |
| 5-hydroxy -6,7,8,3',4'-pentamethoxyflavone | 2174-59-6 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC | Details |
| 5-hydroxy-3,4',7-trimethoxyflavone | — | — | COC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=C(C=C3)OC | Details |
| 5-hydroxy-3,7,3',4′-tetramethoxyflavone | 1245-15-4 | — | — | Details |
| 5-hydroxy-6,7,3',4'-tetramethoxyflavone | 21763-80-4 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC | Details |
| 5-hydroxy-6,7,8,3',4',5'-hexamethoxyflavone | 21187-73-5 | — | COc3cc(c2cc(=O)c1c(O)c(OC)c(OC)c(OC)c1o2)cc(OC)c3OC | Details |
| 5-hydroxy-6,7,8,3',4'-pentamethoxyflavone | 2174-59-6 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC | Details |
| 5-hydroxy-6,7,8,3′,4′-pentamethoxyflavone | 2174-59-6 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC | Details |
| 5-hydroxy-7,3′,4′-trimethoxyflavanone | — | — | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC | Details |
| 5-hydroxy-7,3′,4′-trimethoxyflavone | — | — | — | Details |
| 5-hydroxy-7,4′-dimethoxyflavone | 5128-44-9 | — | — | Details |
| 5-hydroxyaloin | 138373-23-6 | — | C1=CC(=C2C(=C1O)C(C3=C(C2=O)C(=CC(=C3)CO)O)C4C(C(C(C(O4)CO)O)O)O)O | Details |
| 5-hydroxyl-7,3’,4’-trimethoxyflavone | — | — | — | Details |
| 5-hydroxyl-7,4’-dimethoxyflavone | 5128-44-9 | — | — | Details |
| 5-hydroxymethylfurfural | 67-47-0 | — | O=Cc1ccc(CO)o1 | Details |
| 5-methoxydictamnine | 119708-35-9 | — | COc2cccc3nc1occc1c(OC)c23 | Details |
| 5-prenylindole | — | C/C(C)=C\Cc2ccc1[nH]ccc1c2 | — | Details |
| 5-γ,γ-dimethylallyl-8-[2-(2,6-dihydroxyphenyl)-3-dimethyl-but-2-enyol]-umbelliferon | — | C/C(C)=C\Cc2cc(O)c(C(=O)/C(=C(C)/C)c1c(O)cccc1O)c3oc(=O)ccc23 | — | Details |
| 5-γ,γ-dimethylallyl-8-[2-(2,6-dihydroxyphenyl)-3-dimethylbut-2-enyol]-umbelliferon | 5128-44-9 | C/C(C)=C\Cc2cc(O)c(C(=O)/C(=C(C)\C)c1c(O)cccc1O)c3oc(=O)ccc23 | — | Details |
| 5R-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone | 68622-73-1 | COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O | — | Details |
| 5α-hydroxy-2-oxo-p-menth-6(1)-ene | #N/A | #N/A | #N/A | Details |
| 5β-hydroxylcinobufagin | 1108-68-5 | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6 | — | Details |
| 6'''-feruoylspinosin | 77690-92-7 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O)O | — | Details |
| 6''-O-Acetyldaidzin | 71385-83-6 | CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O | — | Details |
| 6''-O-Acetylglycitin | 134859-96-4 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)O)O)O | — | Details |
| 6''-O-Malonylgenistin | 51011-05-3 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O | — | Details |
| 6''-O-Malonylglycitin | 137705-39-6 | COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O | — | Details |
| 6''-O-acetlydaidzin | 71385-83-6 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O)O | — | Details |
| 6''-O-acetlygenistin | 73566-30-0 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O)O)O)O | — | Details |
| 6''-O-coumaroyl-2'-O-glucopyranosylphloretin | — | O=C(/C=C/c1ccc(O)cc1)OC[C@H]4O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| 6''-O-feruloyl-2'-O-glucopyranosylphloretin | — | COc4cc(/C=C/C(=O)OC[C@H]3O[C@@H](Oc1cc(O)cc(O)c1C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]3O)ccc4O | — | Details |
| 6''-O-malonyldaidzin | 124590-31-4 | O=C(O)CC(=O)OC[C@H]4O[C@@H](Oc3ccc2c(=O)c(c1ccc(O)cc1)coc2c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| 6',7'-dihydroxybergamottin | 145414-76-2 | C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC(C(C)(C)O)O | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C(C)(C)O)O | Details |
| 6'-Methoxy-2',4',4-trihydroxy-3'-(2,3-dihydroxy-3-methylbutyl)-trans-chalcone | — | CC(C)(C(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)O)O | — | Details |
| 6'-Methoxy-2',4',4-trihydroxy-3'-(3-hydroxy-3-methylbutyl)-trans-chalcone | 688359-98-0 | CC(C)(CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)O | — | Details |
| 6'-Methoxy-2',4',4-trihydroxy-3'-(4-hydroxy-3-methyl-2-butenyl)-trans-chalcone | — | C/C(=C\CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)/CO | — | Details |
| 6'-O-β-D-glucopyranosyl gentiopicroside | — | — | — | Details |
| 6,6-dimethyl-2-(2-chlorophenyl)-6H-pyran[3’,2’:3,4]naphto [2,1-d]oxazol | #N/A | #N/A | #N/A | Details |
| 6,6-dimethyl-2-(4-(dimethylamino)phenyl)-6H-pyran[3’,2’:3,4] naphto[2,1-d]oxazol | #N/A | #N/A | #N/A | Details |
| 6,6-dimethyl-2-m-toluyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol | #N/A | #N/A | #N/A | Details |
| 6,6-dimethyl-2-p-toluyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol | #N/A | #N/A | #N/A | Details |
| 6,6-dimethyl-2-phenyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol | #N/A | #N/A | #N/A | Details |
| 6,7,3',4'-tetrahydroxy-5-methoxyflavylium | — | — | — | Details |
| 6,7,4'-trihydroxy-5-methoxyflavylium | — | — | — | Details |
| 6,7,8,3′,4′-Pentamethoxyflavone | 42206-91-7 | COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC | — | Details |
| 6,7-dimethoxycoumarin | 120-08-1 | — | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC | Details |
| 6,8-dihydroxy-flavone-7-O-β-D-glucuronide | — | O=C(O)[C@H]4O[C@@H](Oc3c(O)cc2c(=O)cc(c1ccccc1)oc2c3O)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| 6,8-diprenylgenistein | 51225-28-6 | — | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC=C(C)C)O)C | Details |
| 6,8-diprenylnaringenin | 68236-11-3 | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C | — | Details |
| 6,8-diprenylorobol | 66777-70-6 | — | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)CC=C(C)C)O)C | Details |
| 6-Geranylnaringerin | — | CC(=CCC/C(=C\CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)/C)C | — | Details |
| 6-Keto-PGF1α | 58962-34-8 | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O | — | Details |
| 6-O-(3'’,4’'-di-O-trans-cinnamoyl)-α-L-rhamnopyranosylcatalpol | — | C[C@@H]6O[C@H](O[C@@H]3C2C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2[C@@]4(CO)O[C@H]34)[C@H](O)[C@H](OC(=O)/C=C/c5ccccc5)[C@H]6OC(=O)/C=C/c7ccccc7 | — | Details |
| 6-O-(E)-p-coumaroyl scandoside methyl ester | 83946-90-1 | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2CO)OC(=O)/C=C/C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| 6-O-(Z)-feruloyl scandoside methyl ester | — | COC(=O)C2=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]4[C@@H]2[C@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)C[C@]4(C)O | — | Details |
| 6-O-(Z)-p-coumaroyl scandoside methyl ester | 1246012-26-9 | C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O | — | Details |
| 6-O-Salicylbetanin | — | O=C(O)C5=C/C(=C/C=[N+]/4c3cc(O)c(O[C@@H]2O[C@H](COC(=O)c1ccccc1O)[C@@H](O)[C@H](O)[C@H]2O)cc3C[C@H]4[C+](=O)=O)C[C@H](C(=O)O)N5 | — | Details |
| 6-O-Salicylisobetanin | — | O=C(O)C5=C/C(=C/C=[N+]/4c3cc(O)c(O[C@@H]2O[C@H](COC(=O)c1ccccc1O)[C@@H](O)[C@H](O)[C@H]2O)cc3C[C@H]4[C+](=O)=O)C[C@@H](C(=O)O)N5 | — | Details |
| 6-O-veratroylcatalposide | 56973-43-4 | COC1=C(C=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC | — | Details |
| 6-aldehydo-isoophiopogonone A | 112500-90-0 | — | CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O | Details |
| 6-cis-crocin | 42553-65-1 | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C | — | Details |
| 6-deacetylbritanin | — | C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)O)C(=C)C(=O)O2 | — | Details |
| 6-epi-Ophiobolin A | - | C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@H]4[C@H](C3)[C@](CC4=O)(C)O)/C=O)C)C=C(C)C | CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C | Details |
| 6-formyl-isoophiopogonanone A | 116291-82-8 | — | CC1=C(C(=C(C2=C1OCC(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O | Details |
| 6-gingerol | 23513-14-6 | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | — | Details |
| 6-gingerol | 23513-14-6 | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O | CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | Details |
| 6-hydroxy-2-benzoxazolinone | 78213-03-3 | #N/A | C1=CC2=C(C=C1O)OC(=O)N2 | Details |
| 6-hydroxygenistein-6,7-di-o-b-D-glucopyranoside | — | C1=CC(=CC=C1C2=COC3=CC(=C(C(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| 6-hydroxyluteolin 7-O-gentiobioside | — | O=c4cc(c1ccc(O)c(O)c1)oc5cc(O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c45 | — | Details |
| 6-hydroxyluteolin 7-O-glucoside | 54300-65-1 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| 6-hydroxyluteolin 7-O-ß-D-glucoside | 54300-65-1 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| 6-hydroxyluteolin-7-O-β-glucoside | 54300-65-1 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| 6-hydroxyluteuolin-7-glucoside | 54300-65-1 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| 6-methoxy-8-hydroxy-flavone-7-O-β-d-glucuronide | — | COc3cc2c(=O)cc(c1ccccc1)oc2c(O)c3O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O | — | Details |
| 6-methoxyapigenin-7-O-β-D-allopyranoside | — | — | — | Details |
| 6-methoxykaempferol-3-O-galactoside | — | COc4c(O)cc3oc(c1ccc(O)cc1)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)c3c4O | — | Details |
| 6-methoxyluteolin-7-O-β-D-allopyranoside | — | — | — | Details |
| 6-prenylnaringenin | 68236-13-5 | CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C | CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C | Details |
| 6-β-hydroxygeniposide | — | — | — | Details |
| 6a,12a-dehydrodeguelin | — | — | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)OC5=CC(=C(C=C5OC4)OC)OC)C | Details |
| 6β-angeloyloxykolavenic acid | — | C/C=C(/C)\C(=O)O[C@@H]1C[C@H]([C@]([C@@H]2[C@@]1(C(=CCC2)C)C)(C)CC/C(=C/C(=O)O)/C)C | — | Details |
| 6β-hydroxy geniposide | 27530-67-2 | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| 6β-tigloyloxykolavenic acid | — | — | — | Details |
| 6′ " sinapoylspinosin | — | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O | — | Details |
| 6′ "-feruloylspinosin | 77690-92-7 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O)O | — | Details |
| 6′-O-formyl-amaranthin | — | — | — | Details |
| 6′-O-malonyl-amaranthin (celoscristatin) | — | — | — | Details |
| 6′′′-feruloylsaponarin | — | COC1=C(C=CC(=C1)/C=C/C(=O)OCC2[C@H]([C@@H](C([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)O)O)O)O | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O)O | Details |
| 6′′′-sinapoylsaponarin | — | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O | COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O | Details |
| 7(R)-O-butylmorroniside | #N/A | #N/A | #N/A | Details |
| 7(R)-O-methylmorroniside | 41679-97-4 | C[C@H]1[C@@H]2[C@H](CC(O1)OC)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC | CC1C2C(CC(O1)OC)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC | Details |
| 7(S)-O-butylmorroniside | #N/A | #N/A | #N/A | Details |
| 7(S)-O-methylmorroniside | 41679-97-4 | C[C@H]1[C@@H]2[C@H](CC(O1)OC)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC | CC1C2C(CC(O1)OC)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC | Details |
| 7,4'-dihydroxy-5,3'-dimethoxyflavanonol | — | — | COC1=CC(=CC2=C1C(=O)C(C(O2)C3=CC(=C(C=C3)O)OC)O)O | Details |
| 7,4′,7′′,4′′′-tetra-O-methyl-amentoflavone | 22783-08-0 | — | COc6ccc(c5cc(=O)c4c(O)cc(OC)c(c3cc(c2cc(=O)c1c(O)cc(OC)cc1o2)ccc3OC)c4o5)cc6 | Details |
| 7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4E-en-3-heptanone | 79559-60-7 | COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC=CC=C2)O | — | Details |
| 7-(5-Allyl-2-hydroxyphenyl)-2,3-dihydro-1H-indene-2,4-diol | — | — | C=CCC1=CC(=C(C=C1)O)C2=C3CC(CC3=C(C=C2)O)O | Details |
| 7-(R)-O-ethylmorroniside | 945721-10-8 | CCO[C@H]1C[C@H]2[C@@H]([C@@H](O1)C)[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | CCOC1CC2C(C(O1)C)C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O | Details |
| 7-(S)-O-ethylmorroniside | 945721-10-8 | CCO[C@H]1C[C@H]2[C@@H]([C@@H](O1)C)[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | CCOC1CC2C(C(O1)C)C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O | Details |
| 7-Acetyllycopsamine N-oxide | 685132-58-5 | C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C)[O-])O)O | CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)OC(=O)C)[O-])O | Details |
| 7-Hydroxymitragynine | 174418-82-7 | CC[C@@H]1CN2CC[C@]3(C(=NC4=C3C(=CC=C4)OC)[C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)O | CCC1CN2CCC3(C(=NC4=C3C(=CC=C4)OC)C2CC1C(=COC)C(=O)OC)O | Details |
| 7-O-(4-maloyl)loganin | — | — | — | Details |
| 7-O-ethyl sweroside | — | C=C[C@@H]2[C@@H]1C[C@@H](OCC)OC(=O)C1=CO[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O | — | Details |
| 7-O-methylmangiferin | — | COc4cc3c(=O)c2c(O)cc(O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2oc3cc4O | — | Details |
| 7-acetyl lycopsamine | 73544-48-6 | [H][C@]12C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)=CCN1CC[C@H]2OC(C)=O | — | Details |
| 7-acetylintermedine | 74243-01-9 | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O | — | Details |
| 7-acetyllycopsamine | 73544-48-6 | C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O | — | Details |
| 7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one | 15182-83-9 | CC1=CC(=CC2=C1NC(=O)CS2)Cl | — | Details |
| 7-dehydrologanin | — | — | — | Details |
| 7-deoxydaunorubicin aglycone | 35994-56-0 | — | CC(=O)C1(CCC2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O | Details |
| 7-deoxydaunorubicinol aglycone | 35994-55-9 | — | CC(C1(CCC2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O | Details |
| 7-epi-10-deacetyltaxol | 78454-17-8 | CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O | — | Details |
| 7-hydroxycholesterol | 566-27-8 | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C | Details |
| 7-ketocholesterol | 566-28-9 | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C | Details |
| 7-methoxy-daphnoretin | 3749-38-0 | — | — | Details |
| 7-methyljuglone | 14787-38-3 | — | — | Details |
| 7-prenylindole | — | C/C(C)=C\Cc1cccc2cc[nH]c12 | — | Details |
| 7α-hidroxytestosterone | 2141-17-5 | C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O | — | Details |
| 7α-hydroxyroyleanone | #N/A | #N/A | #N/A | Details |
| 7β-(3′-ethyl-cis-crotonoyloxy)-lα-(2′- methylbutyryloxy)-3,14-dehydro-Z-notonipetranone | — | [H][C@@]12C(=C)[C@@H](OC(=O)/C=C(C)/CC)C[C@H](C(C)C)[C@@]1([H])/C(=C/C)C(=O)[C@@H]2OC(=O)C(C)CC | — | Details |
| 7β-xylosyl-10-deacetyltaxol | 90332-63-1 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC8C(C(C(CO8)O)O)O)C)O | Details |
| 8-(3-hydroxy-2,2-dimethylpropyl)-7-methoxy-2H-chromen-2-one | #N/A | #N/A | #N/A | Details |
| 8-C-β-D-(2′-O-(E)-cinnamoyl)-glycopyranosyl-2-(2-hydroxy) propyl-7-methoxy-5-methyl-chromone | — | [H][C@@](C)(O)Cc4cc(=O)c3c(C)cc(OC)c(C1OC(CO)C(O)C(O)C1OC(=O)/C=C/c2ccccc2)c3o4 | — | Details |
| 8-O-demethylchelerythrine | — | — | COc1c(O)ccc4c1c[n+](C)c5c3cc2OCOc2cc3ccc45 | Details |
| 8-deacetylyunaconitine | 93460-55-0 | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC)OC)O)COC | — | Details |
| 8-epiblechnic acid 9-methyl ester | — | COC(=O)C2c1c(/C=C/C(=O)O)ccc(O)c1OC2c3ccc(O)c(O)c3 | — | Details |
| 8-epikingiside | #N/A | C[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC | CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC | Details |
| 8-gingerol | 23513-08-8 | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O | — | Details |
| 8-hydroxy-10-hydrosweroside | — | CC([C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O | Details |
| 8-hydroxylysergic acid amide | — | CN1C[C@@](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)(C(=O)N)O | — | Details |
| 8-lino-14-benzoylaconine | — | CCCCC/C=C\C\C=C/CCCCCCCC(=O)O[C@]15[C@@H](O)[C@H](OC)[C@@]2(O)C[C@H]([C@@H]1[C@H]2OC(=O)c3ccccc3)[C@@]47[C@@H](OC)C[C@@H](O)[C@@]6(COC)CN(CC)C4[C@@H]5[C@H](OC)[C@H]67 | — | Details |
| 8-methoxypeucedanin | #N/A | #N/A | #N/A | Details |
| 8-pal-14-benzoylaconine | — | CCCCCCCCCCCCCCCC(=O)O[C@]15[C@@H](O)[C@H](OC)[C@@]2(O)C[C@H]([C@@H]1[C@H]2OC(=O)c3ccccc3)[C@@]47[C@@H](OC)C[C@@H](O)[C@@]6(COC)CN(CC)C4[C@@H]5[C@H](OC)[C@H]67 | — | Details |
| 8-prenyldaidzein | 135384-00-8 | — | CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C | Details |
| 8-prenylnaringenin | 53846-50-7 | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O)C | Details |
| 8ß-hydroxyeremophil-3,7(11)-dien-12,8α;15,6α-diolide | — | [H][C@@]24CCC=C3C(=O)O[C@@H](C1=C(C)C(=O)O[C@@]1(O)C2)[C@]34C | — | Details |
| 8ß-methoxyeremophil-3,7(11)-dien-12,8α;15,6α- diolide | — | [H][C@@]24CCC=C3C(=O)O[C@@H](C1=C(C)C(=O)O[C@@]1(OC)C2)[C@]34C | — | Details |
| 9,12-octadecadienoic acid methyl ester | 2462-85-3 | — | CCCCCC=CCC=CCCCCCCCC(=O)OC | Details |
| 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid | 57818-39-0 | #N/A | CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O)C | Details |
| 9-Aminoacridine | 90-45-9 | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N | — | Details |
| 9-hydroxycalabaxanthone | 35349-68-9 | — | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C | Details |
| 9ß-hydroxysesamin | 63427-86-1 | O[C@@H]5O[C@H](c2ccc1OCOc1c2)C6CO[C@H](c4ccc3OCOc3c4)C56 | — | Details |
| 9α-hydroxysesamin | 63427-86-1 | O[C@H]5O[C@H](c2ccc1OCOc1c2)C6CO[C@H](c4ccc3OCOc3c4)C56 | — | Details |
| 9′-cis-neoxanthin | 14660-91-4 | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(/C)\C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C | — | Details |
| A-201 A | 37305-78-5 | CC1C(C(C(C(O1)OC/C(=C/2\C(C(C(O2)OC3=CC=C(C=C3)/C=C(\C)/C(=O)NC4C(OC(C4O)N5C=NC6=C5N=CN=C6N(C)C)CO)O)O)/OC)O)OC)OC | — | Details |
| Abamectin | 71751-41-2 | CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)OC6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\\C)C | — | Details |
| Ac-D-Gln-Asn-Gln-Trp-Ala-Val-D-Ala-Leu-Leu-NH2 | — | CC(=O)NC(=O)CC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(C)C)C(N)=O)C(C)C | — | Details |
| Ac-Gly-Asn-Gln-Trp-D-Trp-Val-D-Trp-Leu-Met-NH2 | — | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc5c[nH]c6ccccc56)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(C)=O)C(C)C)C(N)=O | — | Details |
| Acemetacin | 53164-05-9 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O | — | Details |
| Acetohydroxamic acid | 546-88-3 | CC(=O)NO | — | Details |
| Acetylvismione D | — | CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)OC(=O)C)O)/C)C | — | Details |
| Adenosine | 5536-17-4 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | — | Details |
| Adhumulone | 31769-65-0 | CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O | — | Details |
| Adlupulone | 35049-54-8 | — | — | Details |
| Ala-Ala-Ala-Cys-Glu-Glu-Glu-Gly-Ile-Met-Phe-Pro-Thr-Thr-Tyr-Tyr | — | N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)NCC(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O | — | Details |
| Ala-Arg-Arg-Asn-Asn-Cys-Glu-His-Ile-Ile-Leu-Met-Ser-Ser-Thr-Tyr | — | N[C@@]([H])(C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC1=CN=C-N1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O | — | Details |
| Ala-Arg-Asn-Asp-Gly-Ile-Leu-Leu-Phe-Phe-Ser-Thr-Thr-Thr-Thr | — | N[C@@]([H])(C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O | — | Details |
| Ala-Asn-Asn-Asp-Asp-Asp-Gly-Leu-Leu-Leu-Pro-Pro-Ser-Thr-Thr | — | N[C@@]([H])(C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O | — | Details |
| Ala-Asn-Asn-Asp-Glu-Gln-Ile-Leu-Lys-Met-Ser-Thr-Thr-Thr-Thr | — | N[C@@]([H])(C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O | — | Details |
| Allantoin | 97-59-6 | — | C1(C(=O)NC(=O)N1)NC(=O)N | Details |
| Allethrin isomer1 | 34624-48-1 | CC1=C(C(=O)CC1OC(=O)[C@H]2[C@H](C2(C)C)C=C(C)C)CC=C | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C | Details |
| Allethrin isomer2 | 42534-61-2 | CC1=C(C(=O)C[C@H]1OC(=O)[C@H]2[C@@H](C2(C)C)C=C(C)C)CC=C | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C | Details |
| Allopurinol | 315-30-0 | C1=NNC2=C1C(=O)NC=N2 | — | Details |
| Allylthiourea | 109-57-9 | C=CCNC(=S)N | — | Details |
| Ambermor ketal | 57345-19-4 | CC1(C)CCC[C@@]2(C)C1CC[C@@H]1CO[C@]3(C)CC[C@@]12O3 | CC1(CCCC2(C1CCC34C2CCC(O3)(OC4)C)C)C | Details |
| Ambermor ketal epimer | ? | CC1(C)CCC[C@@]2(C)C1CC[C@H]1CO[C@@]3(C)CC[C@]12O3 | CC1(CCCC2(C1CCC34C2CCC(O3)(OC4)C)C)C | Details |
| Aminocaproic acid | 60-32-2 | C(CCC(=O)O)CCN | — | Details |
| Anastrozole | 120511-73-1 | — | CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N | Details |
| Anhydroophiobolin A | - | C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@@H]4[C@H](C3)C(=CC4=O)C)/C=O)C)C=C(C)C | CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(=CC4=O)C)C=O)C)C=C(C)C | Details |
| Arg-Cys-Gly-His-Leu-Leu-Leu-Leu-Met-Met-Ser-Ser-Ser-Tyr-Val | — | N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CS)C(=O)NCC(=O)N[C@@]([H])(CC1=CN=C-N1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(C(C)C)C(=O)O | — | Details |
| Asn-Gln-His-Ile-Leu-Lys-Lys-Lys-Met-Met-Met-Ser-Thr-Thr-Thr | — | N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC1=CN=C-N1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O | — | Details |
| Avermectin B1a | 65195-55-3 | CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C | CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C | Details |
| B-acetyldigoxin | 5355-48-6 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O | — | Details |
| B-amyrin acetate | 1616-93-9 | CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C)C)C)C | — | Details |
| BR64 sorghum tannin | — | — | — | Details |
| BU-2313 B | 69774-87-4 | C[C@H]1[C@@H]2C(=O)C[C@]3([C@@](O2)([C@H]([C@H](O3)C)C(=O)OC)O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/4\C(=O)CNC4=O)/O)C | — | Details |
| Baclofen | 1134-47-0 | C1=CC(=CC=C1C(CC(=O)O)CN)Cl | — | Details |
| Baohuoside I | 113558-15-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O | — | Details |
| Benzovindiflupyr | 1072957-71-1 | — | CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC3=C2C4CCC3C4=C(Cl)Cl | Details |
| Betanin | 7659-95-2 | C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | — | Details |
| Bezafibrate | 41859-67-0 | CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl | — | Details |
| Bifenthrin | 82657-04-3 | CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl | CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl | Details |
| Bisoctrizole | 103597-45-1 | CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O | — | Details |
| Bitoscanate | 4044-65-9 | C1=CC(=CC=C1N=C=S)N=C=S | — | Details |
| Bosentan | 147536-97-8 | — | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC | Details |
| Bucetin | 1083-57-4 | CCOC1=CC=C(C=C1)NC(=O)CC(C)O | — | Details |
| Buckminsterfullerene | 99685-96-8 | — | C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 | Details |
| Bufexamac | 2438-72-4 | CCCCOC1=CC=C(C=C1)CC(=O)NO | — | Details |
| Buprofezin | 69327-76-0 | — | CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 | Details |
| CBC | 20675-51-8 | — | CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O | Details |
| CBD | 13956-29-1 | CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O | Details |
| CBDA | 1244-58-2 | CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)O | Details |
| CBDV | 24274-48-4 | CCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | CCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O | Details |
| CBG | 25654-31-3 | CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O | CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O | Details |
| CBN | 521-35-7 | — | CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O | Details |
| Caffeic acid | 501-16-6 | C1=CC(=C(C=C1/C=C/C(=O)O)O)O | — | Details |
| Calonysterone | 51787-31-6 | C[C@]12CCC3=C(C1=CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)C(=O)C(=C4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O | CC12CCC3=C(C1=CCC2C(C)(C(CCC(C)(C)O)O)O)C(=O)C(=C4C3(CC(C(C4)O)O)C)O | Details |
| Captan | 133-06-2 | — | C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl | Details |
| Captopril | 62571-86-2 | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | — | Details |
| Carnosol | 5957-80-2 | CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O | CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)O)O | Details |
| Cefoperazone Na | 62893-20-3 | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O | — | Details |
| Chlorfenapyr | 122453-73-0 | — | CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl | Details |
| Chlorogenic acid | 202650-88-2 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O | Details |
| Chlorpropamide | 94-20-2 | CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl | — | Details |
| Chlorpyrifos | 2921-88-2 | — | CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl | Details |
| Chromocarb | 4940-39-0 | C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O | — | Details |
| Cianidanol | 7295-85-4 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| Cimetidine | 51481-61-9 | CC1=C(N=CN1)CSCCNC(=NC)NC#N | — | Details |
| Cinchonidine | 485-71-2 | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O | — | Details |
| Cinerin I | 25402-06-6 | C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C | CC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C | Details |
| Cinnarizine | 298-57-7 | C1CN(CCN1/C=C/CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4 | — | Details |
| Clarithromycin | 81103-11-9 | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O | — | Details |
| Clinopodiside A | 142809-89-0 | — | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)O)CO)C | Details |
| Clofentezine | 74115-24-5 | — | C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl | Details |
| Clorsulon | 60200-06-8 | C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl | — | Details |
| Closantel | 57808-65-8 | CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl | — | Details |
| Codeine | 76-57-3 | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O | Details |
| Cohumulone | 511-25-1 | CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O | — | Details |
| Colupulone | 468-27-9 | — | — | Details |
| Coniferin | 531-29-3 | COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| Coumaphos | 56-72-4 | — | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C | Details |
| Cyanidin-3-glucoside | 7084-24-4 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| Cyanidin-3-rutinoside | 28338-59-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O | — | Details |
| Cyclamic acid | 100-88-9 | C1CCC(CC1)NS(=O)(=O)O | — | Details |
| Cyfluthrin | 68359-37-5 | — | CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C | Details |
| Cypermethrin | 52315-07-8 | — | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | Details |
| Cyprodinil | 121552-61-2 | — | CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 | Details |
| Cys-Ile-Ile-Leu-Met-Met-Phe-Phe-Phe-Phe-Pro-Ser-Thr-Thr-Thr | — | N[C@@]([H])(CS)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)O | — | Details |
| Cystine | 56-89-3 | C(C(C(=O)O)N)SSCC(C(=O)O)N | — | Details |
| Dasatinib | 302962-49-8 | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO | — | Details |
| Deguelin | 522-17-8 | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)C | — | Details |
| Dehydroacetic acid | 520-45-6 | CC1=CC(=O)C(C(=O)O1)C(=O)C | — | Details |
| Dehydrodeguelin | 3466-23-7 | — | — | Details |
| Demethoxycurcumin | 22608-11-3 | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O | Details |
| Deoxypodophyllotoxin | 19186-35-7 | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O | — | Details |
| Desmethylxanthohumol J | — | CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)O)O | — | Details |
| Desoxyrhaponticin | 30197-14-9 | COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| Dexamethasone 21-acetate | 1177-87-3 | C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C | — | Details |
| Dhelwangin | 23800-56-8 | — | — | Details |
| Diazinon | 333-41-5 | — | CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C | Details |
| Diazoxide | 364-98-7 | CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl | — | Details |
| Dibutyl phthalate | 84-74-2 | — | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | Details |
| Diclazuril | 101831-37-2 | C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl | — | Details |
| Dicumarol | 66-76-2 | C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O | — | Details |
| Diethyl phthalate | 84-66-2 | — | CCOC(=O)C1=CC=CC=C1C(=O)OCC | Details |
| Diflunisal | 22494-42-4 | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O | — | Details |
| Digitoxin | 71-63-6 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CCC6C5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O | — | Details |
| Digoxin | 20830-75-5 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O | Details |
| Dihydrocyclosporin A | 59865-15-5 | CCCC[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O | CCCCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O | Details |
| Dihydrodiethylstilbestrol | 5635-50-7 | CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O | — | Details |
| Dihydroxanthohumol | 102448-00-0 | — | CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=C(C=C2)O)O)C | Details |
| Dimethyl fumarate | 624-49-7 | COC(=O)/C=C/C(=O)OC | — | Details |
| Dimethyl phthalate | 131-11-3 | — | COC(=O)C1=CC=CC=C1C(=O)OC | Details |
| Dioxybenzone | 131-53-3 | COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O | — | Details |
| Dipropyl phthalate | 131-16-8 | — | CCCOC(=O)C1=CC=CC=C1C(=O)OCCC | Details |
| Docetaxel | 114977-28-5 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O | Details |
| Domperidone | 57808-66-9 | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O | — | Details |
| E-3,4-dimethoxy-α(3-hydroxy-4-carbomethoxyphenyl)-cinnamic acid | — | COC(=O)c2ccc(/C(=C\c1ccc(OC)c(OC)c1)C(=O)O)cc2O | — | Details |
| E-butylidenephthalide | 76681-73-7 | CCC/C=C/1\C2=CC=CC=C2C(=O)O1 | — | Details |
| E-ligustilide | 81944-09-4 | CCC/C=C/1\C2=C(C=CCC2)C(=O)O1 | — | Details |
| E-piceatannol | 10083-24-6 | C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O | — | Details |
| E-resveratrol | 501-36-0 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O | — | Details |
| Endosulfan sulfate | 1031-07-8 | — | C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl | Details |
| Enrofloxacin | 93106-60-6 | CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F | — | Details |
| Epicatechin | 490-46-0 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| Eriodictyol | 552-58-9 | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O | — | Details |
| Erythromycin | 114-07-8 | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O | — | Details |
| Ethionamide | 536-33-4 | CCC1=NC=CC(=C1)C(=S)N | — | Details |
| Ethoprophos | 13194-48-4 | — | CCCSP(=O)(OCC)SCCC | Details |
| Ethyl gallate | 831-61-8 | CCOC(=O)C1=CC(=C(C(=C1)O)O)O | CCOC(=O)C1=CC(=C(C(=C1)O)O)O | Details |
| Etofenprox | 80844-07-1 | — | CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 | Details |
| Etoxazole | 153233-91-1 | — | CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F | Details |
| Etridiazole | 2593-15-9 | — | CCOC1=NC(=NS1)C(Cl)(Cl)Cl | Details |
| Fenofibrate | 49562-28-9 | CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl | — | Details |
| Fenoxycarb | 72490-01-8 | — | CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 | Details |
| Fenpyroximate | 134098-61-6 | CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C | CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C | Details |
| Fenpyroximate trans | 134098-61-6 | CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C | CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C | Details |
| Fenthion | 55-38-9 | — | CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC | Details |
| Ferulic acid | 537-98-4 | COC1=C(C=CC(=C1)/C=C/C(=O)O)O | COC1=C(C=CC(=C1)C=CC(=O)O)O | Details |
| Fipronil | 120068-37-3 | — | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F | Details |
| Flumequine | 42835-25-6 | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O | — | Details |
| Flutamide | 13311-84-7 | CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F | — | Details |
| Fmoc-Gly-Asp-Tyr-Nle-Gly-Trp-Nle-Asp-Phe-NH2 | — | CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)OCC4c2ccccc2c3ccccc34)C(=O)NCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc7ccccc7)C(N)=O | — | Details |
| Folic acid | 59-30-3 | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N | — | Details |
| Furosemide | 54-31-9 | C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl | — | Details |
| GB-1 | — | — | — | Details |
| GB-1a | 19360-72-6 | C1[C@H](OC2=C(C(=CC(=C2C1=O)O)O)[C@@H]3[C@H](OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O | — | Details |
| GB-2 | 18913-18-3 | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)[C@@H]([C@H](O5)C6=CC(=C(C=C6)O)O)O)O | — | Details |
| GB-I-glucoside | — | O=C2CC(c1ccc(O)cc1)Oc4c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C6C(=O)c5c(O)cc(O)cc5OC6c7ccc(O)cc7 | — | Details |
| Gallocatechin gallate | 5127-64-0 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| Geniposidic acid | 27741-01-1 | C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO | C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO | Details |
| Gentiopicroside | 20831-76-9 | C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| Geranyloxyemodin | 87605-71-8 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC/C=C(\C)/CCC=C(C)C | — | Details |
| Glafenine | 3820-67-5 | C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl | — | Details |
| Glimepiride | 93479-97-1 | CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C | — | Details |
| Glipizide | 29094-61-9 | CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3 | — | Details |
| Globoidnan A | 827322-48-5 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)C2=CC(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O)O)O | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2=CC(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O)O)O | Details |
| Glycine | 56-40-6 | C(C(=O)O)N | — | Details |
| GomphreninI | — | — | — | Details |
| Griseofulvin | 126-07-8 | C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC | — | Details |
| Guanosine | 118-00-3 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N | — | Details |
| HP-beta-CD | 107745-73-3 | — | CC(COCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O | Details |
| Harpagoside | 19210-12-9 | C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4 | CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 | Details |
| Hexythiazox | 78587-05-0 | C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl | CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl | Details |
| Honokiol | 35354-74-6 | C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C | C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C | Details |
| Human serum albumin | 70024-90-7 | — | — | Details |
| Humulinone | 26110-47-4 | — | CC(C)CC(=O)C1=C(C(C(C1=O)(C(=O)CC=C(C)C)O)(CC=C(C)C)O)O | Details |
| Humulone | 26472-41-3 | CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O | — | Details |
| Hydroxytyrosol | 10597-60-1 | C1=CC(=C(C=C1CCO)O)O | C1=CC(=C(C=C1CCO)O)O | Details |
| Hydroxyurea | 127-07-1 | C(=O)(N)NO | — | Details |
| Imazalil | 35554-44-0 | — | C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl | Details |
| Intermedine N-oxide | 95462-14-9 | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O | CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O | Details |
| Iopanoic acid | 96-83-3 | CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O | — | Details |
| Iprodione | 36734-19-7 | — | CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl | Details |
| Isobetanin | 15121-53-6 | C\1[C@@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | Details |
| Isodehydrocycloxanthohumol hydrate | — | CC1(CCC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)C | — | Details |
| IsogomphreninI | — | — | — | Details |
| Isoleucine-Bx | — | [H][C@@](/[NH+]=C\C=C/1C=C(C(=O)O)N[C@H](C(=O)O)C1)(C(=O)[O-])C(C)CC | — | Details |
| Isoleucine-isoBx | — | [H][C@@](/[NH+]=C\C=C/1C=C(C(=O)O)N[C@@H](C(=O)O)C1)(C(=O)[O-])C(C)CC | — | Details |
| Isorhamnetin-3-O-rutinoside | 604-80-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | — | Details |
| Isosilybin A | 72581-71-6 | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| Isosilybin B | 142796-22-3 | COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| Isoxanthohumol | 72247-79-1 | — | — | Details |
| Isoxicam | 34552-84-6 | CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O | — | Details |
| Jacaranone | 60263-07-2 | — | COC(=O)CC1(C=CC(=O)C=C1)O | Details |
| Kaempferol 3,4'-diglucoside | 71939-16-7 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| Ketoconazole | 65277-42-1 | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl | — | Details |
| Kresoxim-methyl | 143390-89-0 | CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC | CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC | Details |
| L-Ile | 443-79-8 | CC[C@H](C)[C@@H](C(=O)O)N | — | Details |
| L-Leucyl-L-Tyrosine | 968-21-8 | CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O | — | Details |
| L-Pro | 4305-67-3 | C1C[C@H]([NH2+]C1)C(=O)[O-] | — | Details |
| L-Prolyl-L-Tyrosine | 19786-36-8 | C1C[C@H]([NH2+]C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-] | — | Details |
| L-Tryptophyl-L-Leucine | 13123-35-8 | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N | — | Details |
| L-Tryptophyl-L-Tryptophan | 20696-60-0 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)N | — | Details |
| L-Tryptophyl-L-Tyrosine | 19653-76-0 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N | — | Details |
| L-Tyrosylglycylglycine | 21778-69-8 | N[C@@]([H])(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O | — | Details |
| L-Valyl-L-Tyrosine | 3061-91-4 | CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O | — | Details |
| L-ornithine | 70-26-8 | C(C[C@@H](C(=O)O)N)CN | — | Details |
| Laricitrin 3-O-glucoside | 39986-90-8 | COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| Laricitrin 3-O-rutinoside | — | COc5cc(c2oc1cc(O)cc(O)c1c(=O)c2O[C@@H]4O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c5O | — | Details |
| Leucine-Bx (vulgaxanthin IV) | — | [H][C@@](CC(C)C)(/[NH+]=C\C=C/1C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)[O-] | — | Details |
| Leucine-isoBx (isovulgaxanthin IV) | — | [H][C@@](CC(C)C)(/[NH+]=C\C=C/1C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)[O-] | — | Details |
| Levodopa | 59-92-7 | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O | — | Details |
| Levothyroxine | 51-48-9 | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N | — | Details |
| Ligstroside | 35897-92-8 | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O | Details |
| Liraglutide | 204656-20-2 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CN=CN6)N)C(=O)O | CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC6=CN=CN6)N)C(=O)O | Details |
| Lisinopril | 76547-98-3 | C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O | — | Details |
| Loganic acid | 22255-40-9 | C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| Lovastatin | 75330-75-5 | CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C | — | Details |
| Lufenuron | 103055-07-8 | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F | — | Details |
| Lupulone | 468-28-0 | CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O | — | Details |
| MGK-264 | 113-48-4 | CCCCC(CC)CN1C(=O)C2[C@H]3C[C@H](C=C3)C2C1=O | — | Details |
| MGK264 isomer1 | 113-48-4 | — | CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O | Details |
| MGK264 isomer2 | 113-48-4 | CCCCC(CC)CN1C(=O)C2[C@H]3C[C@H](C=C3)C2C1=O | — | Details |
| Magnaldehyde B | 92829-72-6 | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)/C=C/C=O)O | — | Details |
| Magnaldehyde E | — | — | C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)C=O)O)O | Details |
| Magnolol | 528-43-8 | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O | Details |
| Malathion | 121-75-5 | — | CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC | Details |
| Mebendazole | 31431-39-7 | COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 | — | Details |
| Methimazole | 60-56-0 | CN1C=CNC1=S | — | Details |
| Methiocarb | 2032-65-7 | — | CC1=CC(=CC(=C1SC)C)OC(=O)NC | Details |
| Methyl carnosate | 82684-06-8 | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)OC)O)O | CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)O | Details |
| Methyl parathion | 298-00-0 | — | COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] | Details |
| MethylParathion | 298-00-0 | — | COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] | Details |
| Mitragynine | 4098-40-2 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC | Details |
| Monobenzone | 103-16-2 | C1=CC=C(C=C1)COC2=CC=C(C=C2)O | — | Details |
| Morphine | 57-27-2 | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O | Details |
| Myricetin-3-rutinoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O | — | Details |
| N,N'-Bisdinitrophenyl-L-Cystine | 23067-16-5 | O=C(O)[C@H](CSSC[C@H](Nc1ccc(N(=O)=O)cc1N(=O)=O)C(=O)O)Nc2ccc(N(=O)=O)cc2N(=O)=O | — | Details |
| N,N-dimethyllindicarpin | — | COc3ccc2CC4c1c(cc(O)c(OC)c1c2c3O)CC[N+]4(C)C | — | Details |
| N-(E)-caffeoyldopamine | 103188-49-4 | C1=CC(=C(C=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| N-2,4-dinitrophenyl-DL-glutamic acid | 1655-48-7 | #N/A | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCC(=O)O)C(=O)O | Details |
| N-2,4-dinitrophenyl-L-alanine | 1655-52-3 | C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | CC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | Details |
| N-2,4-dinitrophenyl-β-alanine | 3185-97-5 | #N/A | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(=O)O | Details |
| N-Acetyl-D-cysteine | 26117-28-2 | CC(=O)N[C@H](CS)C(=O)O | — | Details |
| N-Acetyl-L-phenylalanine | 2018-61-3 | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O | — | Details |
| N-Dinitrophenyl-L-Alanine | 1655-52-3 | C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | — | Details |
| N-Dinitrophenyl-L-Aspartic acid | 7683-81-0 | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CC(=O)O)C(=O)O | — | Details |
| N-Dinitrophenyl-L-Glutamic acid | 4528-07-8 | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCC(=O)O)C(=O)O | — | Details |
| N-Dinitrophenyl-L-Leucine | 1655-57-8 | CC(C)C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | — | Details |
| N-Dinitrophenyl-L-Proline | 1655-55-6 | C1C[C@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O | — | Details |
| N-Dinitrophenyl-L-Valine | 1694-97-9 | CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] | — | Details |
| N-Dinitrophenyl-ß-Alanine | 3185-97-5 | — | OC(=O)CCNc1ccc(cc1N(=O)=O)N(=O)=O | Details |
| N-Dinitrophenyl-δ-L-ornithine | 64821-45-0 | N[C@@H](CCCNc1ccc(N(=O)=O)cc1N(=O)=O)C(=O)O | NC(CCCNc1ccc(N(=O)=O)cc1N(=O)=O)C(=O)O | Details |
| N-E-caffeoyltyramine | 103188-48-3 | C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O | — | Details |
| N-E-feruloyltyramine | 80510-09-4 | COC1=C(C=CC(=C1)/C=C\C(=O)NCCC2=CC=C(C=C2)O)O | — | Details |
| N-benzoyl-12-demethoxycylindrocarine | — | [H][C@]13CC[C@@]6(CC(=O)OC)CCCN5CC[C@@]1(c2ccccc2N3C(=O)c4ccccc4)[C@@]56[H] | — | Details |
| N-benzyl-(9Z, 12Z)-octadecadienamide | — | — | CCCCCC=CCC=CCCCCCCCC(=O)NCC1=CC=CC=C1 | Details |
| N-benzyl-(9Z, 12Z, 15Z)-octadecatrienamide | 883715-18-2 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1 | CCC=CCC=CCC=CCCCCCCCC(=O)NCC1=CC=CC=C1 | Details |
| N-benzyl-9Z-octadecenamide | 883715-21-7 | CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1 | — | Details |
| N-benzylhexadecanamide | 74058-71-2 | — | CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1 | Details |
| N-cinnamoyl-12-demethoxycylindrocarine | — | [H][C@]13CC[C@@]6(CC(=O)OC)CCCN5CC[C@@]1(c2ccccc2N3C(=O)/C=C/c4ccccc4)[C@@]56[H] | — | Details |
| N-deacetyllappaconitine | 11033-64-0 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7N | — | Details |
| N-deacetylranaconitine | — | CCN4C[C@]2(OC(=O)c1ccccc1N)CC[C@H](OC)C35[C@@H]6C[C@@H]7[C@@H](OC)C[C@](O)(C(O)(C[C@H]23)C45)[C@@]6(O)[C@H]7OC | — | Details |
| N-deethylaconitine | 3327-35-3 | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](C[C@H]([C@@]7([C@H]5[C@H]([C@H]2[C@H]6NC7)OC)COC)O)OC | CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6NC7)OC)COC)O)OC | Details |
| N-demethylarmepavine | — | COc3cc2CCN[C@H](Cc1ccc(O)cc1)c2cc3OC | — | Details |
| N-formylloline | 38964-33-9 | CN(C=O)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3 | — | Details |
| N-isobutyl-2E,4E,12Z-octadecatrienamide | — | CCC/C=C\CCCCCCCC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| N-methylasimilobine | 3153-55-7 | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)O | — | Details |
| N-nornuciferin | 4846-19-9 | COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)OC | — | Details |
| N-nornuciferine | 4846-19-9 | COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)OC | COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC | Details |
| N1(E)-N5-(Z)-N10-(E)-tri-p-coumaroylspermidine | — | O=C(/C=C/c1ccc(O)cc1)CNCCCCN(CCCNC(=O)/C=C/c2ccc(O)cc2)C(=O)/C=C\c3ccc(O)cc3 | — | Details |
| N1(Z)-N5-(Z)-N10-(E)-tri-p-coumaroylspermidine | — | O=C(/C=C/c1ccc(O)cc1)CNCCCCN(CCCNC(=O)/C=C\c2ccc(O)cc2)C(=O)/C=C\c3ccc(O)cc3 | — | Details |
| N1,N5,N10-(E)-tri-p-coumaroylspermidine | — | O=C(/C=C/c1ccc(O)cc1)CNCCCCN(CCCNC(=O)/C=C/c2ccc(O)cc2)C(=O)/C=C/c3ccc(O)cc3 | — | Details |
| N1,N5,N10-(Z)-tri-p-coumaroylspermidine | — | O=C(/C=C\c1ccc(O)cc1)CNCCCCN(CCCNC(=O)/C=C\c2ccc(O)cc2)C(=O)/C=C\c3ccc(O)cc3 | — | Details |
| N6-(2-hydroxyethyl)-adenosine | 35454-39-8 | N(CCO)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | N(CCO)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O | Details |
| Nadolol | 42200-33-9 | CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O | — | Details |
| Naled | 300-76-5 | — | COP(=O)(OC)OC(C(Cl)(Cl)Br)Br | Details |
| Nalidixic acid | 389-08-2 | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O | — | Details |
| Naproxen | 22204-53-1 | C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | Details |
| Neoeriocitrin | 13241-32-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O | — | Details |
| Nicergoline | 27848-84-6 | CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br | — | Details |
| Niclosamide | 50-65-7 | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O | — | Details |
| Nifuroxazide | 965-52-6 | C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O | — | Details |
| Nimodipine | 66085-59-4 | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC | — | Details |
| Nitazoxanide | 55981-09-4 | CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] | — | Details |
| Nitrofurantoin | 67-20-9 | C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] | — | Details |
| Nitrofurazone | 59-87-0 | C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N | — | Details |
| Nizatidine | 76963-41-2 | CN/C(=C\\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C | — | Details |
| Norfloxacin | 70458-96-7 | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O | — | Details |
| Norhydrocapsaicin | 28789-35-7 | — | CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | Details |
| Novaluron | 116714-46-6 | — | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F | Details |
| O-nornuciferin | 3153-55-7 | COc2c(O)cc3CCN(C)[C@@H]4Cc1ccccc1c2c34 | — | Details |
| Oleuropein | 32619-42-4 | C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O | CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O | Details |
| Ophiobolin A | 4611-05-6 | C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@@H]4[C@H](C3)[C@](CC4=O)(C)O)/C=O)C)C=C(C)C | CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C | Details |
| Ophiobolin I | 110013-85-9 | C[C@H]1C[C@@H](O[C@@]12CC[C@]3([C@H]2C/C=C(\[C@H]4[C@H](C3)C(=CC4=O)C)/CO)C)C=C(C)C | CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(=CC4=O)C)CO)C)C=C(C)C | Details |
| Orbifloxacin | 113617-63-3 | C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F | — | Details |
| Oxybenzone | 131-57-7 | COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O | — | Details |
| Oxydimorphine | 125-24-6 | CN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)C6=C(C7=C8C(=C6)C[C@@H]9[C@H]1[C@]8(CCN9C)[C@@H](O7)[C@H](C=C1)O)O | CN1CCC23C4C1CC5=CC(=C(C(=C52)OC3C(C=C4)O)O)C6=C(C7=C8C(=C6)CC9C1C8(CCN9C)C(O7)C(C=C1)O)O | Details |
| PCNB | 82-68-8 | — | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] | Details |
| PGA2 | 13345-50-1 | CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | — | Details |
| PGB2 | 13367-85-6 | CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O | — | Details |
| PGD2 | 41598-07-6 | CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O | — | Details |
| PGE2 | 363-24-6 | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O | — | Details |
| PGF2α | 551-11-1 | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O | — | Details |
| Panthenol | 16485-10-2 | CC(C)(CO)C(C(=O)NCCCO)O | — | Details |
| Paroxypropione | 70-70-2 | CCC(=O)C1=CC=C(C=C1)O | — | Details |
| Patuletin 3-glucoside | — | COC1=C(C2=C(C=C1O)OC(=C(C2=O)O[C@H]3C(C([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O | — | Details |
| Paynantheine | 4697-66-9 | CO/C=C(\[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=C(N3)C=CC=C4OC)/C(=O)OC | COC=C(C1CC2C3=C(CCN2CC1C=C)C4=C(N3)C=CC=C4OC)C(=O)OC | Details |
| Pd-C-IV | — | C/C(C)=C\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@H]3OC(C)=O | — | Details |
| Pd-D-V | — | C/C=C(C)\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@H]3OC(C)=O | — | Details |
| Pd-Ib | 78416-90-7 | C/C=C(/C)\C(=O)OC1C(=O)C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C | — | Details |
| Pellekindustrium | 0000-00-0 | C(C(=O)O)N | C(C(=O)O)N | Details |
| Peltatoside | 23284-18-6 | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| Permethrin cis | 61949-76-6 | CC1([C@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | Details |
| Permethrin trans | 51877-74-8 | CC1([C@@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C | Details |
| Phenylalanine-Bx | — | [H][C@@](Cc1ccccc1)(/[NH+]=C\C=C/2C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)[O-] | — | Details |
| Phenylalanine-isoBx | — | [H][C@@](Cc1ccccc1)(/[NH+]=C\C=C/2C=C(C(=O)O)N[C@@H](C(=O)O)C2)C(=O)[O-] | — | Details |
| Phosmet | 732-11-6 | — | COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O | Details |
| Phytonadione | 84-80-0 | CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C | — | Details |
| Piceid | 27208-80-6 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| Piperitylmagnolol | — | CC1=C[C@H]([C@@H](CC1)C(C)C)C2=CC(=CC(=C2O)C3=C(C=CC(=C3)CC=C)O)CC=C | — | Details |
| Piperolein A | 30505-92-1 | C1CCN(CC1)C(=O)CCCC/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| Piperonylbutoxide | 51-03-6 | — | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 | Details |
| Podofilox | 518-28-5 | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O | — | Details |
| Polydatin | 27208-80-6 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| Prallethrin | 23031-36-9 | — | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C | Details |
| Proline-Bx (indicaxanthin) | 2181-75-1 | C1C[C@H]([N+](=C/C=C/2\C[C@H](NC(=C2)C(=O)O)C(=O)O)C1)C(=O)[O-] | — | Details |
| Proline-isoBx (isoindicaxanthin) | — | C1C[C@H]([N+](=CC=C2C[C@@H](NC(=C2)C(=O)O)C(=O)O)C1)C(=O)O | — | Details |
| Propiconazole | 60207-90-1 | — | CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl | Details |
| Puerarin 2''-O-xyloside | — | O=c4c(c1ccc(O)cc1)coc5c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc45 | — | Details |
| Puerarin 6''-O-xyloside | 114240-18-5 | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| Pyraclostrobin | 175013-18-0 | — | COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC | Details |
| Pyrano[2,3-f]chromenone | — | — | — | Details |
| Pyridaben | 96489-71-3 | — | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl | Details |
| Pyritinol | 1098-97-1 | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C | — | Details |
| Quercetin-3-O-arabinoside | — | C1[C@H]([C@H]([C@@H]([C@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| R-neoeriocitrin | — | C[C@@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc4cc(O)c3C(=O)C[C@H](c2ccc(O)c(O)c2)Oc3c4)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| Rabdosiin | 119152-54-4 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)[C@H]2[C@@H](C3=CC(=C(C=C3C=C2C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)C5=CC(=C(C=C5)O)O)O)O | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)C5=CC(=C(C=C5)O)O)O)O | Details |
| Ramipril | 87333-19-5 | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O | — | Details |
| Ranitidine | 66357-35-5 | CN/C(=C\\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C | — | Details |
| Reserpine | 50-55-5 | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC | — | Details |
| Resveratrol | 501-36-0 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O | — | Details |
| Retinyl acetate | 127-47-9 | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C | — | Details |
| Rhapontigenin | 500-65-2 | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O | — | Details |
| Rhapontin | 155-58-8 | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| Rifaximin | 80621-81-4 | C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H](C([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C | — | Details |
| Rupestonic acid | 115473-63-7 | C[C@H]1CC[C@@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)O | — | Details |
| S1RA | 878141-96-9 | — | CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4 | Details |
| Salicin | 138-52-3 | C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| Sarothralen A | 105214-57-1 | CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C/C=C(\C)/CCC=C(C)C)O | — | Details |
| Sarothralen G | — | C/C(C)=C\CC/C(C)=C/Cc3cc(CC1=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C1=O)c(O)c(C(=O)c2ccccc2)c3C | — | Details |
| Ser-Ser-Ile-Ile-Arg | — | N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O | — | Details |
| Serine | 56-45-1 | C([C@@H](C(=O)O)N)O | — | Details |
| Silybin A | 22888-70-6 | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| Silybin B | 65666-07-1 | COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| Simvastatin | 79902-63-9 | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C | — | Details |
| Sophoraflavone G | — | CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C | — | Details |
| Sorbitol | 50-70-4 | C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O | — | Details |
| Soyasapogenol A | 508-01-0 | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H]([C@H]5O)O)(C)C)C)C)C)(C)CO)O | — | Details |
| Soyasapogenol B | 595-15-3 | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O | — | Details |
| Speciociliatine | 14382-79-7 | CC[C@@H]1CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC | Details |
| Speciogynine | 4697-67-0 | CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC | Details |
| Spinetoram | 935545-74-7 | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C | CCC1CCCC(C(C(=O)C2=CC3C(C2CC(=O)O1)CCC4C3CC(C4)OC5C(C(C(C(O5)C)OC)OCC)OC)C)OC6CCC(C(O6)C)N(C)C | Details |
| Spinosyn A | 131929-60-7 | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C | CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C | Details |
| Spinosyn D | 131929-63-0 | CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C | CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C | Details |
| Spirodiclofen | 148477-71-8 | — | CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl | Details |
| Spiromesifen | 283594-90-1 | — | CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C | Details |
| Spiroxamine | 118134-30-8 | — | CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C | Details |
| Sucralose | 56038-13-2 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O | — | Details |
| Sugammadex | 343306-71-8 | C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O)O)C(=O)O | C(CSCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)O)O)O)C(=O)O | Details |
| Sulfadiazine | 68-35-9 | C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N | — | Details |
| Sulfameter | 651-06-9 | COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N | — | Details |
| Sulfanilamide | 63-74-1 | C1=CC(=CC=C1N)S(=O)(=O)N | — | Details |
| Sulfasalazine | 599-79-1 | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O | — | Details |
| Sulindac | 38194-50-2 | CC\\1=C(C2=C(/C1=C\\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O | — | Details |
| Sweroside | 14215-86-2 | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| Swertiamarin | 17388-39-5 | C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | C=CC1C(OC=C2C1(CCOC2=O)O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| Synephrine | 94-07-5 | CNCC(C1=CC=C(C=C1)O)O | — | Details |
| Syringetin 3-acetylglucoside | — | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)OC)O)OC)O)O)O | — | Details |
| THCA | 23978-84-9 | CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | Details |
| THCV | 31262-37-0 | CCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O | CCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | Details |
| Tandutinib | 387867-13-2 | CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5 | — | Details |
| Taurine | 107-35-7 | C(CS(=O)(=O)O)N | — | Details |
| Tebuconazole | 107534-96-3 | — | CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O | Details |
| Teflubenzuron | 83121-18-0 | — | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F | Details |
| Tenoxicam | 59804-37-4 | CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 | — | Details |
| Tephrosin | 76-80-2 | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)C | — | Details |
| Terconazole | 67915-31-5 | CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl | — | Details |
| Tetrachlorvinphos | 961-11-5 | COP(=O)(OC)O/C(=C\Cl)/C1=CC(=C(C=C1Cl)Cl)Cl | COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl | Details |
| Tetramethrin cis | 7696-12-0 | — | CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C | Details |
| Tetramethrin trans | 1166-46-7 | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C | CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C | Details |
| Thebaine | 115-37-7 | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC | CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC | Details |
| Thiabendazole | 148-79-8 | C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 | — | Details |
| Thromboxane B2 | 54397-85-2 | CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\CCCC(=O)O)O | — | Details |
| Tobramycin | 32986-56-4 | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N | — | Details |
| Toltrazuril | 69004-03-1 | CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F | — | Details |
| Tormentic acid | 13850-16-3 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | — | Details |
| Triamcinolone | 124-94-7 | C[C@]12C[C@@H]([C@]3(C(C1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O | — | Details |
| Triclosan | 3380-34-5 | C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl | — | Details |
| Trifloxystrobin | 141517-21-7 | C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F | CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F | Details |
| Trimethadione | 127-48-0 | CC1(C(=O)N(C(=O)O1)C)C | — | Details |
| Trimethoprim | 738-70-5 | COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N | — | Details |
| Trioxsalen | 3902-71-4 | CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C | — | Details |
| Tropicamide | 1508-75-4 | CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 | — | Details |
| Trp-Leu | 13123-35-8 | N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)N[C@@]([H])(CC(C)C)C(=O)O | — | Details |
| Tyr-Ala-Ala-Nle-Ala-Ala-Met-Arg-Asp-Asp-Val-Val-Leu-Phe-Glu-Lys | — | CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)C(C)C)C(C)C | — | Details |
| Tyrocidine A | 1481-70-5 | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6 | CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6 | Details |
| Tyrosine-Bx (portulacaxanthin II) | 135545-98-1 | C\1[C@H](NC(=C/C1=C/C=N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)C(=O)O)C(=O)O | — | Details |
| Tyrosine-isoBx (isoportulacaxanthin II) | — | O=C(O)C2=C/C(=C/C=N/[C@@H](Cc1ccc(O)cc1)C(=O)O)C[C@H](C(=O)O)N2 | — | Details |
| Tyrosol | 501-94-0 | C1=CC(=CC=C1CCO)O | C1=CC(=CC=C1CCO)O | Details |
| Urea | 57-13-6 | C(=O)(N)N | — | Details |
| Uridine | 58-96-8 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | — | Details |
| Val-Tyr | 3061-91-4 | N[C@@]([H])(C(C)C)C(=O)N[C@]([H])(Cc1ccc(O)cc1)C(=O)O | — | Details |
| Vildagliptin | 274901-16-5 | C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N | — | Details |
| Vismione D | 87605-72-9 | CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)/C)C | — | Details |
| Warfarin | 81-81-2 | CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O | — | Details |
| XC-DAPOL-CPBA | 191231-97-7 | — | B(C1=CC=C(C=C1)C(=O)NCC(CNS(=O)(=O)C2=CC(=C(C=C2)/C(=C/3\C=CC(=NCC)C(=C3)C)/C4=CC(=C(C=C4)NCC)C)S(=O)(=O)O)O)(O)O | Details |
| Xanthohumol D | 274675-25-1 | CC(=C)C(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)O | — | Details |
| Xanthohumol I | 688360-06-7 | CC(C)(C1CC2=C(O1)C(=C(C=C2O)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O | — | Details |
| Xanthosine | 146-80-5 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O | — | Details |
| Xylazine | 7361-61-7 | CC1=C(C(=CC=C1)C)NC2=NCCCS2 | — | Details |
| Xylene cyanol | 2650-17-1 | — | CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+] | Details |
| Z-butylidenephthalide | 551-08-6 | CCC/C=C\1/C2=CC=CC=C2C(=O)O1 | — | Details |
| Z-ligustilide | 4431-01-0 | CCC/C=C\1/C2=C(C=CCC2)C(=O)O1 | — | Details |
| Z-ostruthol | — | C/C=C(C)\C(=O)OC(COc2c1ccoc1cc3oc(=O)ccc23)C(C)(C)C | — | Details |
| Zomepirac | 33369-31-2 | CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl | — | Details |
| [(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O | — | Details |
| [14C]Spiraprilat | — | C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)S[14CH2][14CH2]S2)N[C@@H](CCC3=CC=CC=C3)C(=O)O | — | Details |
| [26.27-3H2]-25-hydroxyvitamin D3 | — | [3H]C([3H])(O)CCC[C@@H](C)[C@H]3CC[C@H]2/C(=C/C=C/1C[C@@H](O)CCC1=C)CCC[C@@]23C | — | Details |
| [D-Ala1]peptide T amide | 106362-34-9 | C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O | — | Details |
| abrusoside A | 124962-06-7 | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C | — | Details |
| abrusoside B | — | [H][C@@]47CCC3[C@](C)(C(=O)O)[C@@H](O[C@@H]2O[C@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]35C[C@@]45CC[C@]8(C)C([C@H](C)[C@@H]6CC=C(C)C(=O)O6)CC[C@@]78C | — | Details |
| abrusoside C | — | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C | — | Details |
| abrusoside D | — | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)C)C | — | Details |
| acacetin-7-O-glucoside | 4291-60-5 | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| acaciin | 480-36-4 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O | — | Details |
| aceroside VIII | #N/A | C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H](CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O | C1C(C(C(O1)OCC2C(C(C(C(O2)OC(CCCCC3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O | Details |
| acetoside | 61276-17-3 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| acetyl-Asp-Tyr(SO3H)-Met-Gly-Trp-Lys | — | CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)O | — | Details |
| acetyl-Asp-Tyr-Met-Gly-Trp-ε-Tfa-Lys | — | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O | — | Details |
| acetyl-triterpenoic acid | — | — | — | Details |
| acetylcephalotaxine | 24274-60-0 | COC5=C[C@]14CCCN1CCc3cc2OCOc2cc3[C@@H]4[C@@H]5OC(C)=O | — | Details |
| acetylcorynoline | 18797-80-3 | CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3 | — | Details |
| acetylgenistin | — | CC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O[C@H]3C(C([C@@H](C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O | — | Details |
| acetylptaeroxylinol | — | — | — | Details |
| acetylshikonin | 24502-78-1 | CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C | — | Details |
| acetylvitisin A | — | CC(=O)OC1=CC(=C2C(C(OC2=C1)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)/C=C/C5=CC(=C(C=C5)O)C6C(C7=C(C=C(C=C7O)O)C8C(OC9=CC(=CC6=C89)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O | — | Details |
| achyrobichalcone | — | COc3cc(Oc2cc(O)c(C(=O)/C=C/c1ccc(O)cc1)c(OC)c2)cc(O)c3C(=O)/C=C/c4ccc(O)cc4 | — | Details |
| aconitine | 302-27-2 | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC | Details |
| acteoside | 61276-17-3 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| acteoside | 61276-17-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| acuminatolide | 108645-28-9 | C1[C@H]2[C@H](CO[C@H]2C3=CC4=C(C=C3)OCO4)C(=O)O1 | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-(6' -O-trans-4-coumaroyl)-β-sophoroside | — | — | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6',6"-di-O-transcoumaroyl)]-β-sophoroside | — | — | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6'-O-trans-caffeoyl-6"-Otrans-coumaroyl)]-β-sophoroside | — | — | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6'-O-trans-coumaroyl-6"-O-trans-feruloyl)]-β-sophoroside | — | — | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-sophorosyl)-(6',6"-di-O-transcoumaroyl)]-β-sophoroside | — | — | — | Details |
| acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-sophorosyl)-(6'-O-trans-feruloyl-6"-O-trans-coumaroyl)]-β-sophoroside | — | — | — | Details |
| adenosine | 58-61-7 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | Details |
| adinoside F | — | C=C[C@@H]1[C@H](/C=C/CC(=O)OCC)C(C(=O)OC)=CO[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | — | Details |
| adinoside G | — | C=C[C@@H]1[C@H](/C=C/CC(=O)OCCCC)C(C(=O)OC)=CO[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | — | Details |
| adlupulone | 28374-71-2 | CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O | — | Details |
| aesculetin | 305-01-1 | — | C1=CC(=O)OC2=CC(=C(C=C21)O)O | Details |
| aesculin | 531-75-9 | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| afzelin | 482-39-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O | — | Details |
| aglycone cimigenol | — | — | — | Details |
| agrimonolide | 21499-24-1 | COC1=CC=C(C=C1)CC[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2 | — | Details |
| akuammicine | 639-43-0 | C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC | — | Details |
| akuammigine | 642-17-1 | C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | — | Details |
| akuammiline | 1897-26-3 | C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C)C(=O)OC | — | Details |
| akuammine | 3512-87-6 | — | — | Details |
| albiflorin | 39011-90-0 | C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O | Details |
| aldosterone | 52-39-1 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O | Details |
| alisol B | 18649-93-9 | C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O | — | Details |
| alisol B 23-acetate | 25637-96-1 | C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O | — | Details |
| alizarin-1-methylether | — | — | COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O | Details |
| alkannin | 517-88-4 | CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C | — | Details |
| all-trans-crocin | 42553-65-1 | C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C(=O)O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)/C=C/C=C(C)/C(=O)O[C@@H]4O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O | — | Details |
| allocryptopine | 24240-04-8 | — | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 | Details |
| aloe-emodin | 481-72-1 | — | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO | Details |
| aloe-emodin-8-O-β-D-glucoside | 33037-46-6 | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)CO | — | Details |
| aloenin aglycone | 59163-53-0 | — | CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O)O | Details |
| aloenin-2′-p-coumaroylester | 106533-35-1 | CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O | — | Details |
| aloeresin A | 74545-79-2 | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O | — | Details |
| aloeresin C | — | CC(=O)Cc5cc(=O)c4c(C)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c3ccc(O)cc3)c4o5 | — | Details |
| aloesin | 30861-27-9 | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| aloin A | 1415-73-2 | C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO | — | Details |
| aloin B | 28371-16-6 | C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO | — | Details |
| aloinoside A | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2=CC3=C(C(=C2)O)C(=O)C4=C([C@@H]3[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=CC=C4O)O)O)O | — | Details |
| aloinoside B | — | C[C@@H]5O[C@@H](OCc4cc(O)c3C(=O)c1c(O)cccc1[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c3c4)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| alopecurone A | #N/A | CC(=CCC(CC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O)[C@@H]([C@H](O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C(=C)C)C | CC(=CCC(CC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C(C(O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C(=C)C)C | Details |
| alopecurone B | #N/A | CC(=CCC(CC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O)[C@@H]([C@@H](O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C(=C)C)C | CC(=CCC(CC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C(C(O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C(=C)C)C | Details |
| alopecurone F | #N/A | CC(=CCC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O)[C@@H]([C@H](O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C | CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C(C(O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C | Details |
| alpha-Lactose | 14641-93-1 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O | — | Details |
| alpha-Tocopherol | 59-02-9 | CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | Details |
| alpha-Tocotrienol | 58864-81-6 | CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=C1O)C)C | CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C | Details |
| alpinetin | 36052-37-6 | COC1=CC(=CC2=C1C(=O)C[C@H](O2)C3=CC=CC=C3)O | — | Details |
| alquds | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)OC)O)O)O)O)O)O)O | — | Details |
| alsaticocoumarin A | — | CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C/C=C/C(C)(C)O | — | Details |
| alsaticol | — | CC1C(O1)(C)C(=O)O[C@H]2CC3=C(C=C4C(=C3O)C(=O)C=C(O4)CO)OC2(C)C | — | Details |
| alstonine | 6474-90-4 | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | — | Details |
| alternariol | 641-38-3 | #N/A | CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O | Details |
| alternariol monomethyl ether | 23452-05-3 | #N/A | CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O | Details |
| altromycin A | 128439-47-4 | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@]2(C)NC)C3=C(C4=C(C=C3)C(=O)C5=CC(=C6C(=O)C=C(OC6=C5C4=O)C7(C(O7)C)C)C([C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)C)O)OC)O)(C(=O)OC)O)O)C)OC)O | — | Details |
| altromycin B | 128461-00-7 | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@]2(C)N(C)C)C3=C(C4=C(C=C3)C(=O)C5=CC(=C6C(=O)C=C(OC6=C5C4=O)C7(C(O7)C)C)C([C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)C)O)OC)O)(C(=O)OC)O)O)C)OC)O | — | Details |
| altromycin C | 128439-48-5 | C[C@@H]1[C@H]([C@H](C[C@H](O1)C(C2=C3C(=O)C=C(OC3=C4C(=C2)C(=O)C5=C(C4=O)C(=C(C=C5)[C@H]6C[C@]([C@@H]([C@@H](O6)C)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)OC)(C)NC)O)C8(C(O8)C)C)(C(=O)OC)O)OC)O | — | Details |
| altromycin D | 128461-01-8 | C[C@@H]1[C@H]([C@H](C[C@H](O1)C(C2=C3C(=O)C=C(OC3=C4C(=C2)C(=O)C5=C(C4=O)C(=C(C=C5)[C@H]6C[C@]([C@@H]([C@@H](O6)C)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)OC)(C)N(C)C)O)C8(C(O8)C)C)(C(=O)OC)O)OC)O | — | Details |
| alyssonoside | 142674-76-8 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| alyssonoside | 142674-76-8 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | Details |
| amaranthin | 15167-84-7 | C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | — | Details |
| amaranthin (betanidin-5-O-β-glucuronosylglucoside) | 15167-84-7 | C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | Details |
| amaranthine | #N/A | #N/A | #N/A | Details |
| amarogentin | 21233-18-1 | C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O | — | Details |
| amaroswerin | 21018-84-8 | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O | — | Details |
| amburanins B | #N/A | O=C6c1c(O)cc(O)cc1OC7(c2ccc(O)cc2)Oc5cc(O)c4c(=O)c(O)c(c3ccc(O)cc3)oc4c5C67O | #N/A | Details |
| amentoflavone | 1617-53-4 | — | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O | Details |
| ampelopsin A | 130608-11-6 | C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O)O | — | Details |
| amphicoside | 34779-62-9 | COC1=C(C=CC(=C1)C(=O)O[C@@H]2[C@H]3[C@](O3)(C4C2C=CO[C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O | — | Details |
| amygdalin | 29883-15-6 | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O | — | Details |
| ancistrobertsonine A | 202473-87-8 | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1C)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C | — | Details |
| ancistrobertsonines B | — | COc2cc(OC)c1c(C[C@H](C)N(C)[C@@H]1C)c2c3c(C)cc(OC)c4c(OC)cccc34 | — | Details |
| ancistrobertsonines C | — | COc2cc(OC)c1c(C[C@H](C)N(C)[C@@H]1C)c2c3ccc(OC)c4c(OC)cc(C)cc34 | — | Details |
| ancistrobertsonines D | — | COc3cccc4c(c2c(O)cc1C[C@H](C)N(C)[C@H](C)c1c2OC)c(C)cc(OC)c34 | — | Details |
| ancistrobrevine B | 146471-74-1 | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C | — | Details |
| ancistrocladine | 32221-59-3 | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC | — | Details |
| andrographolide | 5508-58-7 | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O | CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O | Details |
| androsin | 531-28-2 | CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC | — | Details |
| anethole | 104-46-1 | C/C=C/C1=CC=C(C=C1)OC | — | Details |
| angeloylgomisin H | 66056-22-2 | C/C=C(/C)\C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H]([C@@](CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C | CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C | Details |
| angeloylgomisin Q | 72561-28-5 | C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]([C@]1(C)O)C)OC)OC)OC)OC)OC)OC | CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C(=C(C=C3CC(C1(C)O)C)OC)OC)OC)OC)OC)OC | Details |
| angoroside C | 115909-22-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O | Details |
| angroside C | — | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@@H]4[C@H]([C@@H]([C@@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O | — | Details |
| anhydroverlotorin | — | C/C/1=C\[C@@H]2[C@@H](CCC(=C)C(=O)CC1)C(=C)C(=O)O2 | — | Details |
| anonaine | 1862-41-5 | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 | — | Details |
| anonamine | 111566-66-6 | CC1CC(=CCO)C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)O)O)C | — | Details |
| anthragallol-2-methylether | 10383-63-8 | — | COc3c(O)cc2c(=O)c1ccccc1c(=O)c2c3O | Details |
| anthraglycoside A | 1329-27-7 | COc4cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c3c(=O)c2c(O)cc(C)cc2c(=O)c3c4 | — | Details |
| anthraglycoside B | 23313-21-5 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| anthraquinone | 84-65-1 | — | — | Details |
| anthrone | 90-44-8 | — | — | Details |
| antroquinonol | 1010081-09-0 | C[C@@H]1[C@H]([C@H](C(=C(C1=O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C | — | Details |
| apigenin | 520-36-5 | — | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| apigenin 6-C-β-d-galactopyranosyl-8-C-β-d-xylopyranoside | — | O=c4cc(c1ccc(O)cc1)oc5c([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c45 | — | Details |
| apigenin 6-C-β-d-xylopyranosyl-8-C-β-d-galactopyranoside | — | O=c4cc(c1ccc(O)cc1)oc5c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c45 | — | Details |
| apigenin 7-xylosyl (1′′′→2′′) glucoside | — | C1[C@H]([C@@H](C([C@@H](O1)OC2[C@H]([C@@H](C(O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | Details |
| apigenin-6-C-galactosyl-6"-O-β-galactopyranoside | — | O=c4cc(c1ccc(O)cc1)oc5cc(O)c(C3O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]3O)c(O)c45 | — | Details |
| apigenin-6-C-β-D-galactopyranosiduronic acid (1→2)-β-D-glucopyranoside | — | O=C(O)[C@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1c4c(O)cc3oc(c2ccc(O)cc2)cc(=O)c3c4O)[C@H](O)[C@@H](O)[C@H]5O | — | Details |
| apigenin-7,4′-dimethylether | 5128-44-9 | #N/A | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O | Details |
| apigenin-7-O-glucoside | 578-74-5 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| apigenin-7-O-neohesperidoside | 17306-46-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | — | Details |
| apigenin-7-O-rutinoside | 552-57-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| apigenin-7-O-β-D-glucuronide methyl ester | — | COC(=O)[C@H]4O[C@@H](Oc3cc(O)c2c(=O)cc(c1ccc(O)cc1)oc2c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| apocynin | 498-02-2 | — | — | Details |
| arctigenin | 7770-78-7 | COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)OC | — | Details |
| arctiin | 20362-31-6 | COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC | Details |
| arenobufagin | 464-74-4 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O | — | Details |
| arganine A | — | — | — | Details |
| arganine C | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(C[C@@H]([C@@H]([C@@]([C@@H]9[C@@H](C[C@]8([C@@]7(C[C@H]6O)C)C)O)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)(C)C)O)O)C)O)O)O)O | — | Details |
| arganine D | — | — | — | Details |
| arjunglucoside I | 62319-70-4 | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C | — | Details |
| arjunoric acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl) glucopyranosyl ester | — | [H][C@@]14C[C@](C)(C)CC[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]5(C)C4=CC[C@@]6([H])[C@@]5(C)CC[C@@]7([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]67C | — | Details |
| armepavine | 524-20-9 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC | Details |
| armepavine | 5884-67-3 | — | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC | Details |
| aromadedrin | 480-20-6 | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| aromadendrin-3-O-β-D-glucopyranoside | 480-10-4 | O=c3c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34 | — | Details |
| artecanin | 29431-84-3 | C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@]14[C@H](O4)[C@H]5[C@@]3(O5)C)OC(=O)C2=C)O | — | Details |
| artemetin | 479-90-3 | — | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC | Details |
| artemisinin | 63968-64-9 | C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C | CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C | Details |
| artemorin | 64845-92-7 | C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2 | — | Details |
| asarinin | 133-04-0 | C1[C@@H]2[C@@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6 | — | Details |
| asiatic
acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl) glucopyranosyl ester | — | [H][C@]6(C)[C@H](C)CC[C@]7(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@]3(C)C(=CC[C@@]4([H])[C@@]3(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]45C)[C@]67[H] | — | Details |
| asiaticoside | 16830-15-2 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O | — | Details |
| aspalathin | 6027-43-6 | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O | Details |
| asperpyrone C | 491869-00-2 | — | CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C(C5=C(C6=C4C=C(C=C6OC)OC)OC(=CC5=O)C)O)OC | Details |
| asperpyrone F | #N/A | — | COc1cc(OC)c6c(c1)c(c4c(OC)cc3cc2OC(C)(O)CC(=O)c2c(O)c3c4OC)c(O)c5c(=O)cc(C)oc56 | Details |
| asperuloside | 238-137-5 | CC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| astaxanthin | 472-61-7 | CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C | CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C | Details |
| astersaponin Hb | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)(C)C)O)O)O)O)O | — | Details |
| astilbin | 29838-67-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| astragalin | 480-10-4 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| astragalosides I | 84680-75-1 | CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O | — | Details |
| astragalosides II | 84676-89-1 | CC(=O)O[C@@H]1[C@H]([C@@H](CO[C@H]1O[C@H]2CC[C@]34C[C@]35CC[C@@]6([C@H]([C@H](C[C@]6([C@@H]5C[C@@H]([C@H]4C2(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O)O | — | Details |
| atisine | 466-43-3 | C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3C[C@H](CC4)C(=C)[C@H]5O)C6N(C2)CCO6 | — | Details |
| atractylenolide III | 73030-71-4 | CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C | — | Details |
| atractylon | 6989-21-5 | CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C | — | Details |
| atropine | 51-55-8 | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 | — | Details |
| aucubin | 479-98-1 | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| aurantio-obtusin | 67979-25-3 | #N/A | CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O | Details |
| aurapten | 495-02-3 | CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C | CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C | Details |
| aurasperone A | 15085-74-2 | — | CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)OC | Details |
| aurodox | 12704-90-4 | CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O | — | Details |
| avicularin | 572-30-5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O | — | Details |
| azadirachtin A | 11141-17-6 | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C | — | Details |
| azadirachtin B | 95507-03-2 | C/C=C(\C)/C(=O)O[C@@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C | — | Details |
| azadirachtin H | 134788-15-1 | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@H]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)O)C(=O)OC)OC(=O)C | — | Details |
| baccatin III | 27548-93-2 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C | Details |
| bacitracin A | 22601-59-8 | CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 | — | Details |
| bacitracin F | 22601-63-4 | CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)C2=CSC(=N2)C(=O)[C@H](C)CC)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 | — | Details |
| bafilomycin A1 | 88899-55-2 | C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C | — | Details |
| baicalein | 491-67-8 | #N/A | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O | Details |
| baicalein-7-O-diglucoside | 114482-86-9 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O | — | Details |
| baicalein-7-O-glucoside | 57396-78-8 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| baicalein-7-O-glucuronide | 21967-41-9 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O | — | Details |
| baicalin | 21967-41-9 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O | — | Details |
| baishouwubenzophenone | 115834-34-9 | — | CC1=C(C=CC(=C1C(=O)C2=C(C=CC(=C2O)C(=O)C)O)O)O | Details |
| balanitin-1 | — | C[C@H]1CC[C@@]%10(OC1)O[C@H]9C[C@H]8[C@@H]7CC=C6C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H]9[C@@H]%10C | — | Details |
| balanitin-2 | — | C[C@H]1CC[C@@]%10(OC1)O[C@H]9C[C@H]8[C@@H]7CC=C6C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]6(C)[C@H]7CC[C@]8(C)[C@H]9[C@@H]%10C | — | Details |
| balanitin-3 | — | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)C)C)C)OC1 | — | Details |
| barbatic acid | 17636-16-7 | #N/A | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)O)C)O)C)OC | Details |
| barbigerone | 75425-27-3 | — | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC(=C(C=C4OC)OC)OC)C | Details |
| barbinervic acid | 64199-78-6 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | — | Details |
| basellin | — | O=C(O)C5=C/C(=C/C=[N+]\4c3cc(O[C@@H]2O[C@H](COC(=O)/C=C/c1ccc(O)cc1)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc3C[C@H]4C(=O)[O-])C[C@@H](C(=O)O)N5 | — | Details |
| batatasin III | 56684-87-8 | #N/A | COC1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O | Details |
| bavachinin | 19879-30-2 | CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C | — | Details |
| beiwutine | 76918-93-9 | CC(=O)O[C@@]12[C@H]3[C@@H]([C@@H]4[C@@]5(CN(C3[C@]4([C@H](C[C@H]5O)OC)[C@]6([C@@H]1[C@H]([C@](C6)([C@H]([C@@H]2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC | — | Details |
| bellericagenin B | — | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)(C[C@H]([C@@H](C3(CO)CO)O)O)C | — | Details |
| bellericaside B | — | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C[C@]6([C@@H](C(C([C@H](O6)CO)(O)O)(O)O)O)O)CO)O)O)C | — | Details |
| bellidin | 2980-32-7 | — | — | Details |
| bellidinfolin | 2798-25-6 | — | — | Details |
| benzanthrin A | 103523-24-6 | Cc5cc3cc(O)c2c(=O)c1c(O)cccc1c(=O)c2c3c(O[C@H]4C[C@H](N(C)C)[C@@H](O)[C@@H](C)O4)c5[C@H]6C[C@H](N(C)C)[C@H](O)[C@@H](C)O6 | — | Details |
| benzanthrin B | 103618-16-2 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)C2=C(C3=C4C(=C(C=C3C=C2C)O)C(=O)C5=C(C4=O)C=CC=C5O)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O)N(C)C)N(C)C)O | — | Details |
| benzoylaconine | 466-24-0 | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC | Details |
| benzoyldeoxyaconine | — | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC | — | Details |
| benzoylmesaconine | 63238-67-5 | CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC | — | Details |
| benzoylpaeoniflorin | 38642-49-8 | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O | — | Details |
| benzyl benzoate | 120-51-4 | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 | — | Details |
| benzyl salicylate | 118-58-1 | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O | — | Details |
| benzyl-O-β-glucopyranoside | 4304-12-5 | C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| berbamine | 478-61-5 | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC | — | Details |
| berbamunine | 485-18-7 | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC | — | Details |
| berberine | 2086-83-1 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC | Details |
| berberrubine | 15401-69-1 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-] | — | Details |
| bergamottin | 7380-40-7 | CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C | CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C | Details |
| bergapten | 484-20-8 | — | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 | Details |
| beta-Cyfluthrin | 68359-37-5 | — | CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C | Details |
| beta-Endosulfan | 959-98-8 | C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl | C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl | Details |
| beta-Tocopherol | 148-03-8 | CC1=CC(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O | CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O | Details |
| beta-Tocotrienol | 490-23-3 | CC1=CC(=C(C2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O | CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)O | Details |
| betanin (betanidin-5-O-β-glucoside) | — | C\1C(NC(=C/C1=C/C=[N+]2C(CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O | Details |
| betulinic acid | 472-15-1 | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O | — | Details |
| bicuculline | 485-49-4 | CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 | — | Details |
| bilobetin | 521-32-4 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O | Details |
| biochanin A | 491-80-5 | — | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O | Details |
| biochanin A–7–O–glucopyranoside | #N/A | #N/A | #N/A | Details |
| biondnoid I | 142750-32-1 | O=C(/C=C/c1ccc(O)cc1)OC[C@H]5O[C@@H](Oc4cc(O)c3c(=O)c(O)c(c2ccc(O)cc2)oc3c4)[C@H](O)[C@@H](O)[C@@H]5O | — | Details |
| biphenoside | — | O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2c(O)cc(O)cc2c3cccc(O)c3 | — | Details |
| biscocsarmine | — | — | COC8=C(OC)C1=C7C(CC2=CC(=C(O[H])C(=C12)C5=C4C3=C(C(=CC6=C3C(CC4=CC(=C5O[H])OC)[N+](CC6)(C)C)OC)OC)OC)[N+](CCC7=C8)(C)C | Details |
| bisdemethoxycurcumin | 33171-05-0 | C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O | — | Details |
| bisdemethoxycurcumin | 33171-05-0 | C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O | C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O | Details |
| bisdethiobis(methylthio)gliotoxin | 74149-38-5 | CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC | CN1C(=O)C2(CC3=CC=CC(C3N2C(=O)C1(CO)SC)O)SC | Details |
| blumenol C | 60047-19-0 | — | — | Details |
| blumenol C glucoside | 135820-80-3 | CC1=CC(=O)CC([C@H]1CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C | — | Details |
| bolibetin | 521-32-4 | — | — | Details |
| bolusanthol B | — | — | CC(=CCC1=C(C(=CC(=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O)O)C | Details |
| borneol | 507-70-0 | — | CC1(C2CCC1(C(C2)O)C)C | Details |
| brachydin B | — | COC1=CC=C(C=C1)/C=C/C2C3=C(C4=C(C=C(C=C4OC)O)O[C@H]3C5=CC=CC=C5)OC6=C2C(=CC(=C6)O)OC | — | Details |
| brachydin C | — | COC1=CC(=CC2=C1C(C3=C(O2)C4=C(C=C(C=C4OC)O)O[C@H]3C5=CC=CC=C5)/C=C/C6=CC=CC=C6)O | — | Details |
| brazilin | 474-07-7 | C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O | — | Details |
| brevifolincarboxylic acid | 18490-95-4 | — | C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O | Details |
| britannin | — | C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2 | — | Details |
| brucine | 357-57-3 | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC | — | Details |
| brucine chloromethochloride | #N/A | #N/A | #N/A | Details |
| bufalin | 465-21-4 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O | — | Details |
| bufalin-3-suberoyl-L-arginine | — | C[C@]12CC[C@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC1CC[C@@H]4[C@@H]2CC[C@]5(C)[C@@H](c3ccc(=O)oc3)CC[C@]45O | — | Details |
| bufotalin | 471-95-4 | CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O | — | Details |
| bungeiside-A | 149475-52-5 | CC(=O)C1=C(C=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| bungeiside-B | 149561-88-6 | CC(=O)C1=C(C=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| burchellin | 38276-59-4 | CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C=C3)OCO4 | — | Details |
| burkinabin A | — | COC1=C(C=CC(=C1)C(=O)OC2CC(CC(C2OC(=O)C3=CC(=C(C=C3)O)OC)O)(C(=O)O)O)O | — | Details |
| burkinabin C | — | COC1=C(C=CC(=C1)C(=O)OC2CC(CC(C2OC(=O)C3=CC(=C(C=C3)O)OC)O)(C(=O)O)O)O | — | Details |
| butein | 487-52-5 | C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O | — | Details |
| butin | 492-14-8 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O | — | Details |
| butrin | 492-13-7 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| butylphthalide | 6066-49-5 | CCCCC1C2=CC=CC=C2C(=O)O1 | — | Details |
| byzantionoside | — | CC1=C[C@@H](CC([C@H]1/C=C/C(=O)C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| caerulein | 17650-98-5 | C[C@H](C(C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O | — | Details |
| caffeic acid | 331-39-5 | C1=CC(=C(C=C1/C=C/C(=O)O)O)O | — | Details |
| caffeic acids | 331-39-5 | C1=CC(=C(C=C1/C=C/C(=O)O)O)O | — | Details |
| caffeine | 357-57-3 | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC | — | Details |
| caffeine | 58-08-2 | — | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | Details |
| caffeoyl quinic acid adduct [M+Cl]− | — | — | — | Details |
| caftaric acid | 67879-58-7 | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O | — | Details |
| cajaflavanone | — | — | CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=CC=C(C=C4)O)O)C | Details |
| cajanin | 32884-36-9 | — | — | Details |
| cajaninstilbene acid | 87402-84-4 | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)/C=C/C2=CC=CC=C2)OC)C | CC(=CCC1=C(C=C(C(=C1O)C(=O)O)C=CC2=CC=CC=C2)OC)C | Details |
| calceolarioside A | 84744-28-5 | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O | Details |
| calceolarioside B | 105471-98-5 | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)O | Details |
| calycosin | 20575-57-9 | — | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O | Details |
| calycosin-7-O-β-D-glucoside | 20633-67-4 | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| calycosin-7-O-β-D-glucoside-6''-O-acetate | — | COc4ccc(c3coc2cc(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)ccc2c3=O)cc4O | — | Details |
| calycosin-7-O-β-D-glycoside | 20633-67-4 | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| camellianins A | 109232-77-1 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=CC(=CC4=C3C(=O)C=C(O4)C5=CC=C(C=C5)O)O)COC(=O)C)O)O)O | — | Details |
| camellianins B | 109232-76-0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=CC(=CC4=C3C(=O)C=C(O4)C5=CC=C(C=C5)O)O)CO)O)O)O | — | Details |
| camophor | 76-22-2 | — | CC1(C2CCC1(C(=O)C2)C)C | Details |
| campesteryl ferulate | 20972-07-0 | C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C | — | Details |
| canellin A | 54835-74-4 | C[C@H]1[C@@H]([C@]2([C@@H]([C@H](C[C@@]1([C@H]2O)CC=C)OC)O)OC)C3=CC4=C(C=C3)OCO4 | — | Details |
| cannabidiol | 13956-29-1 | CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | — | Details |
| cannabidiolic acid | 1244-58-2 | CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O | — | Details |
| cannabigerol | 25654-31-3 | CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O | — | Details |
| cannabigerolic acid | 25555-57-1 | CCCCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCC=C(C)C)O | — | Details |
| cannabinol | 521-35-7 | — | — | Details |
| canthaxanthin | 514-78-3 | CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C | — | Details |
| capitasterone | #N/A | CCC1C[C@@H](OC(=O)C1C)[C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O | CCC1CC(OC(=O)C1C)C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O | Details |
| capsaicin | 404-86-4 | CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC | CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | Details |
| carajurin | — | — | — | Details |
| cardamomin | 19309-14-9 | COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 | — | Details |
| carminic acid | — | — | — | Details |
| carnosaldehyde | — | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C=O)O)O | — | Details |
| carnosic acid | 3650-09-06T22:00:00.000Z | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)O | — | Details |
| carnosic acid | 3650-09-7 | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)O)O)O | CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O | Details |
| carotol | 465-28-1 | CC1=CC[C@]2(CC[C@@H]([C@]2(CC1)O)C(C)C)C | CC1=CCC2(CCC(C2(CC1)O)C(C)C)C | Details |
| carvacrol | 499-75-2 | — | CC1=C(C=C(C=C1)C(C)C)O | Details |
| caryophyllene | 87-44-5 | C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C | — | Details |
| caryophyllene oxide | 1139-30-6 | C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2 | CC1(CC2C1CCC3(C(O3)CCC2=C)C)C | Details |
| cascaroside A | 53823-08-8 | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO | — | Details |
| cascaroside B | 53861-34-0 | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO | — | Details |
| cascaroside C | 53823-09-9 | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| cascaroside D | 53861-35-1 | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| cascaroside E | 164178-32-9 | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| cascaroside F | 164322-83-2 | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| casticin | 479-91-4 | — | — | Details |
| casuarictin | 79786-00-8 | C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O | — | Details |
| catalpol | 2415-24-9 | C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O | Details |
| catalposide | 6736-85-2 | C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O | Details |
| catechin | 154-23-4 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| catechin | 7295-85-4 | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| catechin-[8,7-e]-4 β-(3,4-dihydroxyphenyl)-dihydro-2(3H)-pyranone | — | C1[C@@H](C2=C(C=C(C3=C2O[C@@H](C(C3)O)C4=CC(=C(C=C4)O)O)O)OC1=O)C5=CC(=C(C=C5)O)O | — | Details |
| caudatin | 38395-02-7 | CC(C)/C(=C/C(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@@H](CC3=CC[C@]2([C@@]4([C@]1([C@](CC4)(C(=O)C)O)C)O)O)O)C)/C | — | Details |
| cauloside A | 17184-21-3 | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O | — | Details |
| celastrol | 34157-83-0 | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O | — | Details |
| celosianin | 114847-18-6 | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C(C=C5C(=C4)C[C@H]([N+]5=C/C=C/6\C[C@H](NC(=C6)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O)C(=O)O)O)O)O | — | Details |
| celosianin I | #N/A | C\1[C@H]([NH2+]C(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)[O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)OC(=O)/C=C\C6=CC=C(C=C6)O)C(=O)[O-])C(=O)O)C(=O)[O-] | C1C([NH2+]C(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)[O-])OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)OC(=O)C=CC6=CC=C(C=C6)O)C(=O)[O-])C(=O)O)C(=O)[O-] | Details |
| celosianin II | 114847-18-6 | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C(C=C5C(=C4)C[C@H]([N+]5=C/C=C/6\C[C@H](NC(=C6)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O)C(=O)O)O)O)O | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(C=C5C(=C4)CC([N+]5=CC=C6CC(NC(=C6)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O)C(=O)O)O)O)O | Details |
| cephalomannine | 71610-00-9 | C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O | — | Details |
| cephalotaxine | 24316-19-6 | COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5 | — | Details |
| cerevisterol | 516-37-0 | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C | — | Details |
| cernidine | #N/A | #N/A | #N/A | Details |
| chaetoglobol acid | — | C=C/C=C/[C@@H]1OC[C@H](/C=C/C(=O)O)[C@H]1O | — | Details |
| chamaechromone | 93413-00-4 | — | C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(C3=COC4=CC(=CC(=C4C3=O)O)O)C(=O)C5=C(C=C(C=C5O)O)O)O | Details |
| chamaejasmine | 69618-96-8 | C1=CC(=CC=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O | — | Details |
| chanoclavine | 2390-99-0 | C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO | — | Details |
| chavibetol | 501-19-9 | — | COC1=C(C=C(C=C1)CC=C)O | Details |
| chebulagic acid | 23094-71-5 | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O | Details |
| chebulagic acid | 23094-71-5 | C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O | — | Details |
| chebulinic acid | 18942-26-2 | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O | Details |
| chebulinic acids | 18942-26-2 | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O | — | Details |
| chelerythrine | 34316-15-9 | — | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5 | Details |
| chikusetsusaponin IV | 7518-22-1 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | Details |
| chikusetsusaponin IVa | 51415-02-2 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C | Details |
| chikusetsusaponin V | 34367-04-9 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C | Details |
| chlorogenic acid | 327-97-9 | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| chlorogenic acid methyl ester | 123483-19-2 | COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O | — | Details |
| chlorophyll a | 479-61-8 | CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2] | — | Details |
| chlorophyll b | 519-62-0 | CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2] | — | Details |
| chlorotuberside | — | C[C@]1([C@H]2[C@@H](OC=C(C2[C@@H]([C@H]1Cl)O)C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | CC1(C2C(C(C1Cl)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)O | Details |
| chlorpheniramine maleate | 113-92-8 | CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O | — | Details |
| chlortetracycline | 57-62-5 | C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O | — | Details |
| cholesterol | 57-88-5 | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | Details |
| cholesteryl stearate | 35602-69-8 | CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C | CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C | Details |
| chromotrope 2R | 4197-07-3 | #N/A | C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+] | Details |
| chrysin | 480-40-0 | — | C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O | Details |
| chrysin-6-C-arabinosyl-8-C-glucoside | 185145-33-9 | C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O | — | Details |
| chrysin-6-C-glucosyl-8-C-arabinoside | — | O=c4cc(c1ccccc1)oc5c(C2OC[C@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c45 | — | Details |
| chrysin-7-O-glucuronide | 35775-49-6 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O | — | Details |
| chrysin-diglucoside | — | O=c4cc(c1ccccc1)oc5cc(O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45 | — | Details |
| chryso-obtusin | 70588-06-6 | #N/A | CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC | Details |
| chrysoeriol | 491-71-4 | — | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| chrysophanol | 481-74-3 | — | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | Details |
| chrysosptertin B | 603-56-5 | COc3cc(c2oc1cc(OC)c(OC)c(O)c1c(=O)c2OC)ccc3O | — | Details |
| chrysotobibenzyl | 108853-09-4 | — | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)OC | Details |
| chuanxiongzine | 1124-11-4 | — | CC1=C(N=C(C(=N1)C)C)C | Details |
| cichoric acid | 70831-56-0 | C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O | — | Details |
| cimifugin | 37921-38-3 | CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O | — | Details |
| cimigenol | 3779-59-7 | C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O)C)O2)C(C)(C)O | — | Details |
| cimiracemoside D | 290821-39-5 | C[C@@H]1C[C@@H]2[C@H](OC3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)OC(=O)C)C)O2)C(C)(C)O | — | Details |
| cinerin II | 121-20-0 | C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C | CC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C | Details |
| cinnamic acid | 140-10-3 | C1=CC=C(C=C1)/C=C/C(=O)O | — | Details |
| cinobufagin | 470-37-1 | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C)C)C6=COC(=O)C=C6 | — | Details |
| cirsiliol | 34334-69-5 | — | — | Details |
| cirsiliol-4'-glucoside | #N/A | #N/A | #N/A | Details |
| cis-pervilleine B | 876313-94-9 | CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)OC(=O)/C=C\C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC | — | Details |
| cis-pervilleine F | 876313-95-0 | CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)OC(=O)/C=C\C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)CC4=CC=CC=C4 | — | Details |
| cis-piceid | 148766-36-3 | C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| cis-resveratrol | 61434-67-1 | C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O | — | Details |
| cis-rhapontin | 155-58-8 | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| cis-ε-viniferin | 62218-08-0 | C1=CC(=CC=C1/C=C\C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| cistanoside A | 93236-42-1 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O | — | Details |
| citroside A | 120330-44-1 | CC(=O)C=C=C1C(CC(CC1(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C | — | Details |
| cladosporin A | #N/A | CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(CC5=CC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)O)SC | CC(=O)OC1C=CC=C2C1N3C(=O)C4(CC5=CC=CC(C5N4C(=O)C3(C2)SC)O)SC | Details |
| cladosporin B | #N/A | CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(CC5=CC=CC=C5N4C(=O)[C@@]3(C2)SC)SC | CC(=O)OC1C=CC=C2C1N3C(=O)C4(CC5=CC=CC=C5N4C(=O)C3(C2)SC)SC | Details |
| clemastanin B | 112747-98-5 | COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| clusianone | 59111-58-9 | CC(=CCC1CC2(C(=O)C(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C | — | Details |
| cochloxanthin | — | CC1=CC(=O)CC([C@]1(/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)/C)O)(C) | — | Details |
| cocsarmine | — | — | COc3cc2CC4c1c(cc(OC)c(OC)c1c2cc3O)CC[N+]4(C)C | Details |
| coelonin | 82344-82-9 | #N/A | COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)O | Details |
| coloradocin | 99820-21-0 | C[C@H]1[C@H]2C[C@@H]3C=C[C@@H]4CC(C(=O)O[C@H]5C(COC(=O)CCC6=C(/C=C/OCC5O)C(=O)OC6=O)/C=C(/[C@]4([C@@H]3[C@@H]1O)O2)\C)OC | — | Details |
| columbamine | 3621-36-1 | — | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC | Details |
| colupulone | 511-25-1 | CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O | — | Details |
| compound 1 | #N/A | #N/A | #N/A | Details |
| compound 2 | #N/A | #N/A | #N/A | Details |
| compound 3 | #N/A | #N/A | #N/A | Details |
| compound 4 | #N/A | #N/A | #N/A | Details |
| compound 5 | #N/A | #N/A | #N/A | Details |
| compound 6 | #N/A | #N/A | #N/A | Details |
| compound 7 | #N/A | #N/A | #N/A | Details |
| confusarin | 108909-02-0 | COC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)OC)OC)O)O | — | Details |
| coniferaldehyde glucoside | — | COC1=C(C=CC(=C1)/C=C/C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| coniferyl ferulate | 63644-62-2 | COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O | — | Details |
| coptisine | 3486-66-6 | #N/A | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 | Details |
| cordycepin | 73-03-0 | C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO | C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO | Details |
| coriandrin | 116408-80-1 | — | — | Details |
| coriandrone A | 139906-03-9 | C[C@H]1CC2=CC(=C3C[C@H](OC3=C2C(=O)O1)C(C)(C)O)OC | — | Details |
| coriandrone B | 139906-04-0 | C[C@H]1CC2=CC(=C3C[C@H](C(OC3=C2C(=O)O1)(C)C)O)OC | — | Details |
| corilagin | 23094-69-1 | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O | — | Details |
| coriolic acid | 18104-45-5 | CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)O | CCCCCC(C=CC=CCCCCCCCC(=O)O)O | Details |
| cornin | 548-37-8 | C[C@H]1CC(=O)[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O | Details |
| cornoside | 40661-45-8 | C1=CC(C=CC1=O)(CCOC2C(C(C(C(O2)CO)O)O)O)O | — | Details |
| cornoside | 40661-45-8 | C1=CC(C=CC1=O)(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | C1=CC(C=CC1=O)(CCOC2C(C(C(C(O2)CO)O)O)O)O | Details |
| cornuside I | 131189-57-6 | COC(=O)C1=CO[C@@H]([C@H]([C@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C(C1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O | Details |
| cornuside II | — | — | — | Details |
| corosolic acid | 4547-24-4 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O | — | Details |
| corpoporhyrin | 531-14-6 | — | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O | Details |
| corticosterone | 50-22-6 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O | Details |
| cortisone acetate | 50-04-04 | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O | CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O | Details |
| corydaline | 518-69-4 | C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC | — | Details |
| corydine | 476-69-7 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC | — | Details |
| corydinemethine | 101959-19-7 | — | CN(C)CCC1=CC(=C(C2=C1C=CC3=C2C(=C(C=C3)OC)OC)O)OC | Details |
| corylifol A | 775351-88-7 | CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)/C)C | — | Details |
| corymbiferin-1-O-β-glucoside | — | COC1=C(C=CC2=C1OC3=C(C(=CC(=C3C2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC)O | — | Details |
| corynoline | 18797-79-0 | C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O | — | Details |
| corynoloxine | 31470-65-2 | C[C@@]12[C@H]3C4=CC5=C(C=C4CC1O[C@H](N3C)C6=C2C=CC7=C6OCO7)OCO5 | — | Details |
| corynoxeine | 630-94-4 | CO/C=C(\[C@H]1C[C@H]2[C@@]3(CCN2C[C@@H]1C=C)C4=CC=CC=C4NC3=O)/C(=O)OC | COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC | Details |
| corynoxine | 6877-32-3 | CC[C@@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O | Details |
| corynoxine B | 17391-18-3 | CC[C@@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O | Details |
| costunolide | 553-21-9 | C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C | CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C | Details |
| costunolide diepoxide | — | C[C@@]12CC[C@@H]3[C@@H]([C@@H]4[C@@](O4)(CC[C@@H]1O2)C)OC(=O)C3=C | — | Details |
| coumarin | 91-64-5 | — | — | Details |
| coutaric acid | 27174-07-8 | C1=CC(=CC=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O | — | Details |
| crocin | 42553-65-1 | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C | — | Details |
| crocin 1 | 42553-65-1 | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C | — | Details |
| crocin 2 | 55750-84-0 | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| crocin 5 | 174916-30-4 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O)O)O)O)O | — | Details |
| crocin-1 | 42553-65-1 | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O | Details |
| crocin-2 | 55750-84-0 | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| crocin-3 | 55750-85-1 | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O | Details |
| crocin-4 | 55750-86-2 | C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)OC1C(C(C(C(O1)CO)O)O)O)/C=C/C=C(/C)\C(=O)OC | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC | Details |
| cryptotanshinone | 35825-57-1 | C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C | — | Details |
| cuminaldehyde | 122-03-2 | — | CC(C)C1=CC=C(C=C1)C=O | Details |
| curculigoside | 85643-19-2 | COC1=C(C(=CC=C1)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O | — | Details |
| curculigoside B | 143601-09-6 | COC1=CC=CC(=C1C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O | — | Details |
| curcumenone | 100347-96-4 | CC(=C1C[C@@H]2[C@H]([C@@]2(CC1=O)C)CCC(=O)C)C | — | Details |
| curcumin | 458-37-7 | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O | — | Details |
| curcumin | 458-37-7 | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O | Details |
| curcumol | 4871-97-0 | C[C@H]1CC[C@@H]2[C@]13C[C@H]([C@](O3)(CC2=C)O)C(C)C | — | Details |
| curdione | 13657-68-6 | C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C | — | Details |
| curzerene | 17910-09-7 | — | CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C | Details |
| cyanidin 3-(2"'-acetyl-rutinoside) | — | CC(=O)O[C@H]5[C@H](OC[C@H]4O[C@@H](Oc2cc1c(O)cc(=O)cc1oc2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H](C)[C@H](O)[C@H]5O | — | Details |
| cyanidin 3-(2"-glucosyl-6"-sinapoylglucoside)-5-glucoside | — | COc7cc(/C=C/C(=O)OC[C@H]6O[C@@H](Oc3cc2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc(O)cc2[o+]c3c4ccc(O)c(O)c4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]6O)cc(OC)c7O | — | Details |
| cyanidin 3-(2'''-sinapoyl-6"-glucosylglucoside)-5-glucoside | — | COc7cc(/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2Oc5cc4c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc4[o+]c5c6ccc(O)c(O)c6)cc(OC)c7O | — | Details |
| cyanidin 3-(2''-feruoyl-2'''-sinapoyl-6"-glucosylglucoside)-5-glucoside | — | COc8cc(/C=C/C(=O)OC[C@H]7O[C@@H](Oc3cc2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc(O)cc2[o+]c3c4ccc(O)c(O)c4)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)/C=C/c6cc(OC)c(O)c(OC)c6)[C@@H](O)[C@H]7O)cc(OC)c8O | — | Details |
| cyanidin 3-(2''-p-coumaroyl-2'''-sinapoyl-6"-glucosylglucoside)-5-glucoside | — | COc8cc(/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@H]3Oc6cc5c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc5[o+]c6c7ccc(O)c(O)c7)cc(OC)c8O | — | Details |
| cyanidin 3-(3",6"-dimalonylglucoside) | 171828-60-7 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)O)O)O)O | — | Details |
| cyanidin 3-(3"-glucosyl-6"-malonylglucoside) | — | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-(3"-glucosylglucoside) | 53696-63-2 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-(6"-malonylglucoside) | 171828-62-9 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-O-(6-O-[6-O-(4-coumaroyl)-ß-D-glucosyl]-2-O-ß-D-xylosyl-ß-D-galactoside) | 142506-21-6 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-O-(6-O-feruloyl-β-D-glucopyranosyl)-(1-->6)-[β-D-xylopyranosyl-(1-->2)]-β-D-galactopyranoside | 142561-99-7 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-O-(6-O-synapoyl-β-D-glucopyranosyl)-(1-->6)-[β-D-xylopyranosyl-(1-->2)]-β-D-galactopyranoside | 142630-71-5 | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-O-(ß-D-glucopyranosyl)-(1-6)-[ß-D-xylopyranosyl-(1-2)]-ß-D-galactopyranose | 142561-98-6 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-O-[β-D-xylopyranosyl-(1-->2)]-β-D-galactopyranoside | 33012-73-6 | OCC5OC(Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)C(OC4OCC(O)C(O)C4O)C(O)C5O | — | Details |
| cyanidin 3-O-β-D-glucoside | 47705-70-4 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| cyanidin 3-rutinoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| cyanidin glucoside | 7084-24-4 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| cyanidin-3,5-diglucoside | — | C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O[C@H]5C(C([C@@H](C(O5)CO)O)O)O)O)O | — | Details |
| cyanidin-3-(6''-caffeoyl-6'''-feruoylsophoroside-5-glucoside | — | COc8cc(O)cc(/C=C/C(=O)OC[C@@H]7O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/c1cc(O)cc(O)c1)O[C@H]2Oc5cc4c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)cc4[o+]c5c6ccc(O)c(O)c6)[C@@H](O)[C@H](O)[C@H]7O)c8 | — | Details |
| cyanidin-3-(6''-malonylglucoside) | — | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4C(C([C@@H](C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-(6′′,6′′′-dicaffeoylsophoroside)-5-glucoside | — | O=C(/C=C/c1ccc(O)c(O)c1)OCC8OC(OC3C(O)C(O)C(COC(=O)/C=C/c2ccc(O)c(O)c2)OC3Oc6cc5c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc5[o+]c6c7ccc(O)c(O)c7)C(O)C(O)C8O | — | Details |
| cyanidin-3-(6′′-caffeoyl-6′′′-p-hydroxy-benzoylsophoroside)-5-glucoside | — | O=C(/C=C/c1ccc(O)c(O)c1)OCC8OC(Oc4cc3c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc3[o+]c4c5ccc(O)c(O)c5)C(OC7OC(COC(=O)c6ccc(O)cc6)C(O)C(O)C7O)C(O)C8O | — | Details |
| cyanidin-3-(6′′-caffeoylsophoroside)-5-glucoside | 185044-12-6 | O=C(/C=C/c1ccc(O)c(O)c1)OCC7OC(Oc4cc3c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc3[o+]c4c5ccc(O)c(O)c5)C(OC6OC(CO)C(O)C(O)C6O)C(O)C7O | — | Details |
| cyanidin-3-O-(6-O-p-coumaroyl)-β-D-glucopyranoside | — | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-O-(6′′-O-α-rhamnopyranosyl-β-D-galactopyranoside) | — | CC5OC(OCC4OC(Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)C(O)C(O)C4O)C(O)C(O)C5O | — | Details |
| cyanidin-3-O-(6′′-O-α-rhamnopyranosyl-β-D-glucopyranoside) | — | Oc5cc(O)c4cc(OC2OC(COC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O)c(c3ccc(O)c(O)c3)[o+]c4c5 | — | Details |
| cyanidin-3-O-glucoside | 7084-24-4 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-O-rutinoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-O-sambubioside | 53925-33-0 | — | — | Details |
| cyanidin-3-O-β-D-galactopyranoside | 142506-26-1 | OC[C@H]4O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@H]4O | — | Details |
| cyanidin-3-O-β-D-glucopyranoside | 7084-24-4 | OC[C@H]4O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| cyanidin-3-O-β-D-glucoside | 7084-24-4 | OC[C@H]4O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| cyanidin-3-arabinoside | — | C1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O.[Cl-] | — | Details |
| cyanidin-3-feruoylsophoroside-5-glucoside | — | COc7cc(O)cc(/C=C/C(=O)OC[C@H]6O[C@@H](Oc3cc2c(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)cc(O)cc2[o+]c3c4ccc(O)c(O)c4)[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]6O)c7 | — | Details |
| cyanidin-3-galactoside | 27661-36-5 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-] | — | Details |
| cyanidin-3-glucoside | 7084-24-4 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-] | — | Details |
| cyanidin-3-sambubioside | 63535-17-1 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O | — | Details |
| cyanidin-3-sophoroside-5-glucoside | — | OC[C@@H]6O[C@H](Oc4cc(O)cc5[o+]c(c1ccc(O)c(O)c1)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc45)[C@@H](O)[C@H](O)[C@H]6O | — | Details |
| cyanidin-3-xylosyl-(coumaroylglucosyl)-galactoside | 142506-21-6 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-xylosyl-(feruloylglucosyl)-galactoside | 142561-99-7 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-3-xylosyl-(sinapoylglucosyl)-galactoside | 142630-71-5 | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)OC4=CC5=C(C=C(C=C5[O+]=C4C6=CC(=C(C=C6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)O | — | Details |
| cyanidin-7-O-β-D-glucopyranoside | — | OC[C@H]4O[C@@H](Oc3cc(O)c2cc(O)c(c1ccc(O)c(O)c1)[o+]c2c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| cyclanoline | 18556-27-9 | C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)O)O)OC | — | Details |
| cyclartenol | 469-38-5 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C | — | Details |
| cyclo(L-Pro-L-Trp) | 38136-70-8 | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43 | — | Details |
| cycloartenyl ferulate | 11042-64-1 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C | — | Details |
| cyclosporin A | 59865-13-3 | CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C | CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C | Details |
| cyclosporin D | 63775-96-2 | C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C)O | — | Details |
| d-laserpitin | 134002-17-8 | C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O | — | Details |
| d-limonene | 5989-27-5 | CC1=CC[C@@H](CC1)C(=C)C | CC1=CCC(CC1)C(=C)C | Details |
| d8THC | 5957-75-5 | CCCCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O | CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C)O | Details |
| d9THC | 1972-08-03 | CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O | CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O | Details |
| dactylorhin A | 256459-34-4 | CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| daidzein | 486-66-8 | — | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O | Details |
| daidzin | 552-66-9 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| damascenine | 483-64-7 | — | CNC1=C(C=CC=C1OC)C(=O)OC | Details |
| danshenxinkun A | 121064-74-2 | — | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO | Details |
| danshenxinkun B | 65907-76-8 | — | — | Details |
| daphnetin | 486-35-1 | — | C1=CC(=C(C2=C1C=CC(=O)O2)O)O | Details |
| daphnoretin | 2034-69-7 | — | COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O | Details |
| daucoguainolactone F | — | [H][C@@]12C(C)=CC(=O)C1=C(C)C=C(OC(=O)/C(C)=C\C)[C@]3([H])[C@@]2([H])OC(=O)[C@@]3(C)OC(=O)C(C)C | — | Details |
| daucol | 887-08-1 | CC(C)[C@H]1CC[C@]2([C@]13CC[C@](O3)([C@H](C2)O)C)C | CC(C)C1CCC2(C13CCC(O3)(C(C2)O)C)C | Details |
| daunorubicin | 20830-81-3 | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O | — | Details |
| dauricicoline | 2831-75-6 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)O)OC)O)O)OC | — | Details |
| dauricine | 524-17-4 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC | — | Details |
| daurinoline | 2831-75-6 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)O | — | Details |
| daurisolin | 70553-76-3 | COc6cc5CCN(C)[C@H](Cc4ccc(O)c(Oc3ccc(C[C@@H]2c1cc(OC)c(OC)cc1CCN2C)cc3)c4)c5cc6O | — | Details |
| deacetylbufotalin | 465-19-0 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=COC(=O)C=C5)O)O)C)O | — | Details |
| deacetylcinobufagin | 4026-95-3 | — | CC12CCC(CC1CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)O)C)O | Details |
| deapio-platycoside E | — | C[C@@H]8O[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC(=O)[C@]27CC[C@@](C)(C)CC2C6=CCC5[C@@]4(C)C[C@H](O)[C@H](O[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@](CO)(CO)C4CC[C@@]5(C)[C@]6(C)C[C@H]7O)[C@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O | — | Details |
| deca-O-galloylglucose | — | C1=C(C=C(C(=C1O)O)O)C(=O)C([C@](C(=O)C2=CC(=C(C(=C2)O)O)O)([C@](C(=O)C3=CC(=C(C(=C3)O)O)O)([C@@](C(=O)C4=CC(=C(C(=C4)O)O)O)([C@](C(=O)C5=CC(=C(C(=C5)O)O)O)(C(=O)C(=O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O | — | Details |
| decursidin | 23027-48-7 | CC(=CC(=O)O[C@H]1[C@@H](C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C=C(C)C)C | — | Details |
| decursitin C | 245446-61-1 | C/C=C(C)\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@@H]3O | — | Details |
| decussatin | 20882-69-3 | — | COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)OC | Details |
| deglucoserrulatoside | — | [H][C@@]3(OCC1=CO[C@@H](OC(=O)CC(C)C)[C@]2([H])C(CC)=CC[C@]12[H])O[C@H](C)C[C@@H](O)[C@@H]3O | — | Details |
| dehydrocavidine | 83218-34-2 | C[C@@H]1[C@@H]2C3=CC(=C(C=C3C=CN2CC4=C1C=CC5=C4OCO5)OC)OC | — | Details |
| dehydrocorydaline | 30045-16-0 | — | CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC | Details |
| dehydrocostus lactone | 477-43-0 | C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C | C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C | Details |
| dehydrocostuslactone | 477-43-0 | C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C | — | Details |
| dehydrodieugenol | 4433-08-3 | — | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC=C)OC)O)CC=C | Details |
| dehydrodieugenol B | 75225-33-1 | — | COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2O)OC)CC=C | Details |
| dehydrodieugenol B methyl ether | — | — | COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2OC)OC)CC=C | Details |
| dehydroglyasperin C | 199331-35-6 | — | CC(=CCC1=C(C2=C(C=C1O)OCC(=C2)C3=C(C=C(C=C3)O)O)OC)C | Details |
| dehydroglyasperin D | 517885-72-2 | — | CC(=CCC1=C(C=C2C(=C1OC)C=C(CO2)C3=C(C=C(C=C3)O)O)OC)C | Details |
| dehydropachymic acid | 77012-31-8 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O | Details |
| dehydropipernonaline | 107584-38-3 | C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| dehydropiperoleine A | — | O=C(/C=C/CC/C=C/c2ccc1OCOc1c2)N3CCCCC3 | — | Details |
| dehydropodophyllotoxin | 42123-27-3 | — | COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)O)COC3=O | Details |
| dehydrosulphurenic acid | — | C=C(CCC(C(=O)O)C3CC(O)C4(C)C2=CCC1C(C)(C)C(O)CCC1(C)C2=CCC34C)C(C)C | — | Details |
| dehydrotrametenolic acid | 29220-16-4 | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C | CC(=CCCC(C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C | Details |
| dehydrotumulosic acid | 6754-16-1 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)O)C(=O)O | Details |
| delphinidin-3-(6-acetylglucoside) | — | CC(=O)OCC1[C@H](C(C([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O | — | Details |
| delphinidin-3-O-glucoside | 50986-17-9 | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| delphinidin-3-O-rutinoside | — | CC1[C@@H](C([C@@H]([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O[C@H]6C([C@H]([C@@H](C(O6)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O)O[C@H]8C([C@H]([C@@H](C(O8)COC(=O)/C=C/C9=CC=C(C=C9)O)O)O)O)O)O)O)O)O)O)O | — | Details |
| delphinidin-3-O-sambubioside | — | OC[C@H]5O[C@@H](Oc2cc1c(O)cc(O)cc1[o+]c2c3cc(O)c(O)c(O)c3)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]5O | — | Details |
| delphinidin-3-glucoside | 50986-17-9 | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| delphinidin-3-rutinoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O | — | Details |
| delta-Tocopherol | 119-13-1 | — | CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O | Details |
| delta-Tocotrienol | 25612-59-3 | CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O | Details |
| deltonin | 55659-75-1 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| demethocycurcumin | 22608-11-3 | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O | — | Details |
| demethoxycurcumin | 24939-17-1 | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O | — | Details |
| demethoxyfumitremorgin C | 106211-91-0 | CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C | CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2)C | Details |
| demethyldehydropodophyllotoxin | 117669-31-5 | — | COC1=CC(=CC(=C1O)OC)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)O)COC3=O | Details |
| demethylsecologanol | — | C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CCO | — | Details |
| deoxyaconitine | 3175-95-9 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC | CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC | Details |
| deoxylapachol | 3568-90-9 | — | — | Details |
| deoxynivalenol | 51481-10-8 | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO | CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO | Details |
| deoxyschisandrin | 61281-38-7 | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC | — | Details |
| deoxyschizandrin | 61281-38-7 | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC | — | Details |
| deoxyshikonin | 43043-74-9 | #N/A | CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C | Details |
| des-enkephalin-γ-endorphin | 74174-40-6 | C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)N)O | — | Details |
| desacetylasperuloside acid | 14259-55-3 | C1=C([C@@H]2[C@H]([C@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO | — | Details |
| desacetylnimbin | 18609-16-0 | — | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C | Details |
| desacetylsalannin | 1110-56-1 | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)O | — | Details |
| desmethoxyyangonin | 15345-89-8 | COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2 | — | Details |
| desmethylxanthohumol | 115063-39-3 | CC(=CCC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C | — | Details |
| desoxygartanine | 33390-41-9 | — | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)CC=C(C)C)O)C | Details |
| desoxyrhaponticin | 30197-14-9 | COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O | — | Details |
| deuteroporhyrin | 448-65-7 | — | CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C | Details |
| di(dihydro)caffeoyl-syringoyl quinic acid methyl ester | — | — | — | Details |
| diaffeoyl-dihydrocaffeoyl-sinapoyl quinic acid | — | — | — | Details |
| dianoside C | — | [H][C@@]57CC[C@]4(C)C(CC=C3C1C[C@](C)(CO)CC[C@]1(CC(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]34C)[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@]7(C)C(=O)O | — | Details |
| dicaffeoyl quinic acid derivative | — | — | — | Details |
| dicaffeoyl quinic acid derivative II | — | — | — | Details |
| dichtomitin | — | — | COc4cc(c3cc(=O)c2c(O)c1OCOc1cc2o3)cc(O)c4OC | Details |
| dictamnine | 484-29-7 | — | — | Details |
| didymin | 14259-47-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O | — | Details |
| diepoxin γ | — | C1[C@@H]([C@@H]([C@]23[C@H]([C@@H]4[C@@H](O4)C5([C@@]2(C1=O)O3)OC6=CC=CC7=C6C(=CC=C7)O5)O)O)O | — | Details |
| diepoxin δ | — | C1[C@H]([C@@H]([C@]23[C@H]([C@@H]4[C@@H](O4)C5([C@@]2(C1=O)O3)OC6=CC=CC7=C6C(=CC=C7)O5)O)O)O | — | Details |
| diepoxin κ | — | CO[C@@H]1CC(=O)[C@@]23[C@@]([C@H]1O)(O2)[C@H]([C@@H]4[C@H](C35OC6=CC=CC7=C6C(=CC=C7)O5)O4)O | — | Details |
| diffractaic acid | 436-32-8 | #N/A | CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC | Details |
| digitonin | 11024-24-1 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 | — | Details |
| digitoxigenin | 143-62-4 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O | — | Details |
| digitoxigenin-3-O-β-D-glucoside | 17059-16-4 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | — | Details |
| digitoxigenin-3-O-β-D-quinovoside | 40950-57-0 | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O | — | Details |
| digitoxigenin-3-O-β-D-xyloside | — | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O | — | Details |
| dihydrocaffeoyl-syringoyl quinic acid | — | — | — | Details |
| dihydrocaffeoyl-vanilloyl quinic acid | — | — | — | Details |
| dihydrocapsaicin | 19408-84-5 | — | CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | Details |
| dihydrocochloxanthin | — | C[C@H]1CC(=O)CC([C@@]1(/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)/C)O)(C)C | — | Details |
| dihydrocodeine phosphate | 24204-13-5 | OP(O)(O)=O.[H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)=CC=C3OC | — | Details |
| dihydrocoriandrin | 116383-99-4 | — | — | Details |
| dihydrokaempferol | 480-20-6 | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O | — | Details |
| dihydrokavain | 587-63-3 | COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2 | — | Details |
| dihydrolanosterol | 79-62-9 | C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C | CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C | Details |
| dihydromethysticin | 19902-91-1 | COC1=CC(=O)O[C@H](C1)CCC2=CC3=C(C=C2)OCO3 | — | Details |
| dihydromyricetin | 27200-12-0 | C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O | — | Details |
| dihydrophaseic acid 3'-O-β-D-glucopyranoside | #N/A | #N/A | #N/A | Details |
| dihydroquinine | 522-66-7 | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O | — | Details |
| dihydrotanshinone | 87205-99-0 | — | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C | Details |
| dihydrotanshinone I | 87205-99-0 | C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C | — | Details |
| dimethylphthalate | 131-11-3 | COC(=O)C1=CC=CC=C1C(=O)OC | — | Details |
| dimmer-catechin | — | C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O3)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O | — | Details |
| dioctylphthalate | 68515-43-5 | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC | — | Details |
| dioscin | 19057-60-4 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| diosmetin | 520-34-3 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| diosmetin-7-O-β-D-glucuronide methyl ester | — | COC(=O)[C@H]4O[C@@H](Oc3cc(O)c2c(=O)cc(c1ccc(OC)c(O)c1)oc2c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| diprenylxanthohumol | — | COc1c(C/C=C(C)/C)c(OC/C=C(C)/C)c(C/C=C(C)/C)c(O)c1C(=O)CCc2ccc(O)cc2 | — | Details |
| dipsacus saponin A | 99624-66-5 | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)CO)O | — | Details |
| dipsacus saponin VI | 39524-08-8 | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)CO)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O | — | Details |
| divaricatol | — | CC(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C | — | Details |
| dl-methylephedrine HCl | 18760-80-0 | Cl.C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C | — | Details |
| dl-tetrahydropalmatine | 10097-84-4 | — | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC | Details |
| docosahexaenoic acid ethyl ester | 86227-47-6 | CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC | — | Details |
| dodeca-2E,4E,8Z,10E/Z-tetraenoic acid isobutylamide | — | CC=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| dodeca-2E,4E,8Z-trienoic acid isobutylamide | — | CCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| dodeca-2E,4E-dienoic acid 2-methylbutylamide | — | CCCCCCC/C=C/C=C/C(=O)NCC(C)CC | — | Details |
| dodeca-2E,4E-dienoic acid isobutylamid | 24738-51-0 | CCCCCCC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| dodecyl acetate | 112-66-3 | CCCCCCCCCCCCOC(=O)C | — | Details |
| doxytetracycline | 564-25-0 | C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O | — | Details |
| dracorhodin | 643-56-1 | CC1=C(C2=CC=C(OC2=CC1=O)C3=CC=CC=C3)OC | — | Details |
| drupacine | 49686-57-9 | CO[C@]12C[C@]34CCCN3C[C@H](O1)C5=CC6=C(C=C5[C@@H]4[C@@H]2O)OCO6 | — | Details |
| ducloudine A | #N/A | #N/A | #N/A | Details |
| dulcoside A | 64432-06-0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@]34CC[C@H]5[C@@]6(CCC[C@@]([C@H]6CC[C@]5(C3)CC4=C)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)CO)O)O)O)O)O | — | Details |
| eburicoic acid | 560-66-7 | CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O | CC(C)C(=C)CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O | Details |
| ecdysterone | 5289-74-7 | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O | Details |
| echimidine | 520-68-3 | C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O | — | Details |
| echinacoside | 82854-37-3 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| echinacoside | 82854-37-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | Details |
| eckmaxol | — | — | Oc7cc(O)c(Oc1cc(O)cc(O)c1c2c(O)cc(O)cc2Oc3c(O)cc(O)cc3Oc5c(O)cc(O)c6oc4cc(O)cc(O)c4oc56)c(O)c7 | Details |
| edgeworoside C | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C=C2)C=CC(=O)O3)C4=C(C=CC5=C4OC(=O)C=C5)O)O)O)O | — | Details |
| efrotomycin | 56592-32-6 | CCC(C(=O)NC/C=C/C=C(\C)/C(C(C)C1C(C(C(O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)/C=C/C=C/C)(C)C)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)OC)O)OC)OC)O)O)O | — | Details |
| eicosapentaenoic acid ethyl ester | 73310-11-9 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC | — | Details |
| elatine | 26000-16-8 | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C | — | Details |
| elatoside F | 144118-18-3 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O | — | Details |
| eleutheroside B | 118-34-3 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO | — | Details |
| eleutheroside E | 39432-56-9 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC | — | Details |
| ellagic acid | 476-66-4 | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O | — | Details |
| ellagic acid 4-O-xyloside | 139163-18-1 | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O | — | Details |
| emodin | 518-82-1 | — | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O | Details |
| emodin-1-O-ß-D-glucoside | 38840-23-2 | CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O | — | Details |
| emodin-1-O-β-D-glucoside | 38840-23-2 | CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O | — | Details |
| emodin-1-O-β-d-glucoside | #N/A | — | — | Details |
| emodin-6-O-glucoside | 34298-85-6 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O | — | Details |
| emodin-8-O-glucoside | #N/A | #N/A | #N/A | Details |
| emodin-8-O-β-D-glucoside | 23313-21-5 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| emodin-8-β-D-glucoside | 23313-21-5 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| engeletin | 572-31-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O | — | Details |
| engelitin | 572-31-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O | — | Details |
| epi-isoshinanolone | — | C[C@@H]1CC(=O)C2=C([C@H]1O)C=CC=C2O | — | Details |
| epi-lyoniresinol | #N/A | #N/A | #N/A | Details |
| epi-wilsonine | 39024-12-9 | CO[C@@H]1C[C@]23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC | — | Details |
| epiandrosterone | 481-29-8 | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O | CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O | Details |
| epiberberine | 6873-09-2 | #N/A | COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC | Details |
| epicatechin | 17334-50-8 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| epicatechin gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| epicatechin-3-gallate-(4β→8, 2β→O→7)-epicatechin-3-gallate dimer | #N/A | #N/A | #N/A | Details |
| epicatechin-3-o-gallate | 1257-08-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| epigallocatechin | 970-74-1 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O | — | Details |
| epigallocatechin gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| epigallocatechin-3-O-gallate ester | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| epigallocatechin-3-O-gallate-4'-O-hexadecanate | 507453-56-7 | CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O | — | Details |
| epigallocatechin-3-gallate-(4β→8, 2β→O→7)-epigallocatechin-3-gallate dimer | #N/A | #N/A | #N/A | Details |
| epigallocatechin-3-o-gallate | 989-51-5 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| epigambogic acid | 887606-04-4 | CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@]45[C@@H]6C[C@H](C=C4C3=O)C(=O)[C@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C | — | Details |
| epimedin A | — | C[C@H]1[C@@H]([C@H]([C@@]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)(C)O[C@H]6[C@@H]([C@H]([C@@H]([C@@](O6)(C)CO)O)O)O)O)O | — | Details |
| epimedin B | 110623-73-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O | — | Details |
| epimedin C | 110642-44-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O | — | Details |
| epimedokoreanoside I | — | CC1[C@@H](C([C@@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6C([C@H]([C@@H](C(O6)COC(=O)C)O)O)O)OC(=O)C | — | Details |
| epirosmanol | 93380-12-2 | — | — | Details |
| epitheaflavic acid | 30407-93-3 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)C(=O)O)O)O)O)O | — | Details |
| epitheaflavic acid-3'-gallate | 34218-97-8 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3C=C(C=C(C4=O)O)C(=O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O | — | Details |
| epoxybergamottin | 206978-14-5 | C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(O4)(C)C | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C | Details |
| ergosta-4,6,8(14),22-tetraen-3-one | 19254-69-4 | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C | — | Details |
| ergosta-7,22-dien-3-one | 32507-77-0 | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4)C)C | — | Details |
| ergosterol | 57-87-4 | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C | — | Details |
| ergosterol peroxide | 2061-64-5 | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C | — | Details |
| erianin | 95041-90-0 | — | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O | Details |
| eriodictyol | 4049-38-1 | — | — | Details |
| eriodicytol | 4049-38-1 | — | — | Details |
| erionic acid A | — | CC(CCC1=C(C(=CC(=C1)C(=O)O)CC=C(C)CO)O)C(=O)C=CC(C)(C)O | — | Details |
| erionic acid B | — | CC(CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C(=O)O)C(=O)C=CC(C)(C)O | — | Details |
| eriophorin A | — | — | — | Details |
| eriophorin B | — | — | — | Details |
| eriophorin C | — | — | — | Details |
| erythrodiol 3-O-β-D-(2'-O-β-D-galactopyranosyl,-3'-O-acetyl-4'-O-α-L-arabinofuranosyl) glucopyranoside | — | [H][C@@H]7C[C@]1(C)C(=CC[C@@]6([H])[C@@]1(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](OC(C)=O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]56C)[C@]8([H])CC(C)(C)CC[C@]78CO | — | Details |
| erythrodiol 3-O-β-D-(2'-O-β-D-galactopyranosyl,-3'-O-acetyl-4'-O-α-L-arabinofuranosyl) glucopyranoside methyl ester | — | [H][C@@H]7C[C@]1(C)C(=CC[C@@]6([H])[C@@]1(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)OC)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](OC(C)=O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]56C)[C@]8([H])CC(C)(C)CC[C@]78CO | — | Details |
| esculentosides A | — | — | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6COC(C(C6O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC | Details |
| esculentosides B | 60820-94-2 | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC | — | Details |
| esculentosides C | 65931-92-2 | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC | — | Details |
| esculentosides D | — | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC | — | Details |
| esculin | 531-75-9 | C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| estriol | 50-27-1 | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O | Details |
| estriol-16α-glucuronide | 1852-50-2 | C[C@]35CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3C[C@@H](OC4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]5O | — | Details |
| estriol-3-glucuronide | 2479-91-6 | C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O | — | Details |
| estriol-3-sulfate | 481-95-8 | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O | — | Details |
| estriol-3-sulfate-16α-glucuronide | 4661-65-8 | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O | — | Details |
| estrone | 53-16-7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O | Details |
| ethyl brevifolincarboxylate | 107646-82-2 | CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O | CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O | Details |
| eucalyptol | 470-82-6 | — | CC1(C2CCC(O1)(CC2)C)C | Details |
| eudebeiolide B | — | C[C@@H]1[C@H]2CC3=C(C(=O)O[C@@]3(C[C@@]2(C=CC1=O)C)O)C | — | Details |
| eudebeiolide D | — | [H][C@]23Cc1c(C)c(=O)oc1=C[C@]2(C)C=CC(=O)[C@@H]3C | — | Details |
| eudesm-7(11)-en-4α-ol | 473-04-1 | C/C(C)=C/2CC[C@@]1(C)CCC[C@@](C)(O)C1C2 | — | Details |
| eugenol | 97-53-0 | — | COC1=C(C=CC(=C1)CC=C)O | Details |
| eupafolin | 520-11-6 | — | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O | Details |
| eupalinolide A | 877822-41-8 | C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/C[C@@H]1OC(=O)C)/COC(=O)C)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2 | — | Details |
| eupalinolide B | 877822-40-7 | C/C/1=C/[C@@H]2[C@@H]([C@@H](C/C(=C/C[C@@H]1OC(=O)C)/COC(=O)C)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2 | — | Details |
| eupatilin (5,7-dihydroxy-6,3′,4′-trimethoxyflavone) | 22368-21-4 | — | — | Details |
| euscaphic acid | 53155-25-2 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | — | Details |
| eutigoside B | — | C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OCCC3(C=CC(=O)C=C3)O)O)O)O | — | Details |
| evernic acid | 537-09-7 | #N/A | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC | Details |
| everninomicin D | 39340-46-0 | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@](CO9)([C@H](C)OC)O)OCO1)OC)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C | — | Details |
| evocarpine | 15266-38-3 | CCCC/C=C\CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C | — | Details |
| evodiamine | 518-17-2 | CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 | — | Details |
| excoecariatoxin | 92219-48-2 | CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO | — | Details |
| fagaronine | 52259-65-1 | — | — | Details |
| falcarindiol | 225110-25-8 | CCCCCCCC=CC(C#CC#CC(C=C)O)O | — | Details |
| falcarinol | 21852-80-2 | CCCCCCCC=CCC#CC#CC(C=C)O | — | Details |
| fangchinoline | 436-77-1 | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC | — | Details |
| fasciculol B | 64971-22-8 | C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)C | — | Details |
| fasciculol C | 65694-19-1 | C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO | — | Details |
| fasciculol F | 65694-21-5 | C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO | — | Details |
| febrifugine | 24159-07-7 | C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O | — | Details |
| ferulic acid | 1135-24-6 | COC1=C(C=CC(=C1)/C=C/C(=O)O)O | — | Details |
| ferulic acid derivative | #N/A | #N/A | #N/A | Details |
| ferupennin P | — | [H][C@@]12C(C)=CC(=O)C1=C(C)C=C(OC(=O)C(C)C)[C@]3([H])[C@@]2([H])OC(=O)[C@@]3(C)OC(C)=O | — | Details |
| ferupennin Q | — | [H][C@@]12C(C)=CC(=O)C1=C(C)C=C(OC(=O)C(C)C)[C@]3([H])[C@@]2([H])OC(=O)[C@@]3(C)OC(=O)C(C)C | — | Details |
| fisetin | 528-48-3 | — | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O | Details |
| foeniculin | 78259-41-3 | C/C=C/C1=CC=C(C=C1)OCC=C(C)C | — | Details |
| foetidissimoside A | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O | — | Details |
| fonsecinone A | 95152-75-3 | — | CC1=CC(=O)C2=C(C=C3C=C(C(=C(C3=C2O1)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)OC)O | Details |
| fonsecinone B | 95152-76-4 | — | CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC | Details |
| formononetin | 485-72-3 | — | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O | Details |
| formononetin-7-O-β-D-glucoside | 486-62-4 | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| formononetin-7-O-β-D-glycoside | 486-62-4 | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| forsythoside A | 79916-77-1 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| forsythoside A | 79916-77-1 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O | Details |
| forsythoside B | 81525-13-5 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| forsythoside B | 81525-13-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | Details |
| forsythoside I | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O | Details |
| fortunine | — | CO[C@H]6C=CC15OC1CN4CCCC3C=C2OCOC2=CC3[C@@]45C6 | — | Details |
| fraxetin | 574-84-5 | — | COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O | Details |
| fraxin | 524-30-1 | COC1=C(C(=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| fructose | 57-48-7 | C1C(C(C(C(O1)(CO)O)O)O)O | — | Details |
| fucosterol | 17605-67-3 | C/C=C(\CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)/C(C)C | CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | Details |
| fucoxanthin | 3351-86-8 | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O | — | Details |
| fumaric acid | 110-17-8 | C(=CC(=O)O)C(=O)O | — | Details |
| fumitremorgin C | 118974-02-0 | CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C | CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C | Details |
| fumonisin B1 | 116355-83-0 | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O | — | Details |
| fumonisin B2 | 116355-84-1 | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O | — | Details |
| fumonisin B3 | 136379-59-4 | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@H]([C@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O | — | Details |
| furohyperforin | 219793-20-1 | CC(C)C(=O)[C@]12C(=O)C(=C3[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)C[C@H](O3)C(C)(C)O)CC=C(C)C | — | Details |
| fustin | 20725-03-5 | C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O)O | — | Details |
| gaillardin | 14682-46-3 | CC1=C[C@H]2[C@H](C[C@@H]3[C@@H]1[C@H](C[C@@]3(C)O)OC(=O)C)C(=C)C(=O)O2 | — | Details |
| galactolipids - different types | — | — | — | Details |
| galacturonic acid | 25990-10-7 | C1(C(C(OC(C1O)O)C(=O)O)O)O | — | Details |
| galangin | 548-83-4 | #N/A | C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| gallic acid | 149-91-7 | C1=C(C=C(C(=C1O)O)O)C(=O)O | C1=C(C=C(C(=C1O)O)O)C(=O)O | Details |
| gallic acid 4-O-β-D-(6'-O-galloyl)glucoside | #N/A | #N/A | #N/A | Details |
| galloyl-piceid | — | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O | — | Details |
| gamabufo-talin | 465-11-2 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O | — | Details |
| gambogenic acid | 173932-75-7 | CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C3=C[C@@H]4C[C@@H]5[C@@]3(O2)[C@](C4=O)(OC5(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)O)/C)C | — | Details |
| gambogic acid | 2752-65-0 | CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C | — | Details |
| gamma-Tocopherol | 54-28-4 | CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O | CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O | Details |
| gamma-Tocotrienol | 14101-61-2 | CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O | CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O | Details |
| gandolin | — | COc5cc(/C=C/C(=O)OC[C@H]4O[C@@H](Oc1cc/2c(cc1O)C[C@@H](C(=O)[O-])[N+]2=C/C=C\3C=C(C(=O)O)N[C@H](C(=O)O)C3)[C@H](O)[C@@H](O)[C@@H]4O)cc(OC)c5O | — | Details |
| ganoderic acid S | 104759-35-5 | C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C | Details |
| ganoderic acid T | 103992-91-2 | C[C@@H]([C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C)[C@H](C/C=C(\C)/C(=O)O)OC(=O)C | CC(C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)OC(=O)C)C(CC=C(C)C(=O)O)OC(=O)C | Details |
| ganoderol B | 104700-96-1 | C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C | CC(CCC=C(C)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C | Details |
| gardenoside | 24512-62-7 | COC(=O)C1=CO[C@@H]([C@@H]2[C@H]1C=C[C@]2(CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O | Details |
| gartanine | 33390-42-0 | — | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)CC=C(C)C)O)C | Details |
| gastrodin | 62499-27-8 | C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O | Details |
| geissolosimine | — | CC[C@@H]1CN2CC[C@@]34[C@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)C6[C@@H]\7C[C@H]8C9=C(C[C@@H]6N8C/C7=C/C)C1=CC=CC=C1N9)C1=CC=CC=C41 | — | Details |
| geissoschizine methylether | #N/A | #N/A | #N/A | Details |
| geissoschizoline | 18397-07-4 | CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]([C@@H]3NC5=CC=CC=C45)CO | — | Details |
| geissoschizone | — | CC[C@@H]1CN2CC[C@@]34C2CC1[C@H]5C3N(COC5)C6=CC=CC=C46 | — | Details |
| geissospermine | 427-01-0 | CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]\6C[C@H]7C8=C(CCN7C/C6=C/C)C9=CC=CC=C9N8)C(=O)OC)C1=CC=CC=C41 | — | Details |
| gelsemine | 509-15-9 | C=CC14CN(C)CC1C3(C(=O)Nc2ccccc23)C5CC4CCO5 | — | Details |
| gelsenicine | 82354-38-9 | CCC1=N[C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC | — | Details |
| gelsevirine | 38990-03-3 | CN1C[C@]2([C@@H]3C[C@@H]4[C@]5([C@H]2[C@H]1[C@H]3CO4)C6=CC=CC=C6N(C5=O)OC)C=C | — | Details |
| geniposide | 24512-63-8 | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O | Details |
| genistein | 446-72-0 | — | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O | Details |
| genistein 7-O-glucoside | — | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O | — | Details |
| genistein-4′- β-L-rhamnopyransoyl-(1-2)-α-D- glucopyranoside | — | C[C@@H]5O[C@H](OC1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc4ccc(c3coc2cc(O)cc(O)c2c3=O)cc4)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| genistein-7,4′-di-O-β-D-glucoside) | — | O=c4c(c2ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)C1O)cc2)coc5cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45 | — | Details |
| genistein-7-O-β-D-glucopyranoside-4′-O-[(α-L-rhamnopyransoyl)-(1-2)-β-D-glucopyranoside] | — | C[C@@H]6O[C@H](OC1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc5ccc(c4coc3cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3c4=O)cc5)[C@H](O)[C@H](O)[C@H]6O | — | Details |
| genistin | 529-59-9 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O | Details |
| genkwadane D | — | C=C(C)[C@@]16O[C@@]5(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]4[C@@H]2O[C@]2(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3C4(O5)[C@H](C)[C@H]6OC(=O)C(C)C | — | Details |
| genkwanin | 437-64-9 | #N/A | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O | Details |
| genkwanin-4'-methyl ether | 5128-44-9 | — | — | Details |
| genkwaphnine | — | C=C(C)[C@@]27O[C@@]6(c1ccccc1)O[C@@H]2[C@@H]5[C@@H]3O[C@]3(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=CC4[C@@]5(O6)[C@H](C)[C@H]7OC(=O)c8ccccc8 | — | Details |
| gentiopicrin | 20831-76-9 | C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| gentisic acid | 490-79-9 | C1=CC(=C(C=C1O)C(=O)O)O | — | Details |
| geraniin | 60976-49-0 | C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O | — | Details |
| geranyl 1-O-α-L-arabinopyranosyl-(1→ 6)-β-D-glucopyranoside | 152520-94-0 | CC(=CCC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O)/C)C | — | Details |
| geranyl acetale | #N/A | #N/A | #N/A | Details |
| germacrone | 6902-91-6 | C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C | — | Details |
| ginkgetin | 481-46-9 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O | Details |
| ginkgolic acid C13:0 | 20261-38-5 | — | CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | Details |
| ginkgolic acid C15:0 | 16611-84-0 | — | CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | Details |
| ginkgolic acid C15:1 | 22910-60-7 | CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O | CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | Details |
| ginkgolic acid C17:1 | 111047-30-4 | CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | Details |
| ginkgolic acid C17:2 | #N/A | — | CCCCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O | Details |
| ginkgotoxin | 1464-33-1 | #N/A | CC1=NC=C(C(=C1O)COC)CO | Details |
| ginsenoside F4 | 126223-28-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5/C(=C\CC=C(C)C)/C)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O | — | Details |
| ginsenoside R1 | 80418-24-2 | #N/A | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C | Details |
| ginsenoside Rb | 88140-34-5 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CC(=O)O)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C | — | Details |
| ginsenoside Rb 1 | 41753-43-9 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C | — | Details |
| ginsenoside Rb1 | 41753-43-9 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C | Details |
| ginsenoside Rb2 | 11021-13-9 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)O)O)C | — | Details |
| ginsenoside Rc | 11021-14-0 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)C | — | Details |
| ginsenoside Rd | 52705-93-8 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C | Details |
| ginsenoside Rd | 68406-27-9 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C | — | Details |
| ginsenoside Rd2 | 83480-64-2 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)O)O)C | — | Details |
| ginsenoside Re | 257-814-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7([C@@H]3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)O | — | Details |
| ginsenoside Rf | 52286-58-5 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C | — | Details |
| ginsenoside Rg | 59252-86-7 | — | — | Details |
| ginsenoside Rg 1 | 22427-39-0 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C | — | Details |
| ginsenoside Rg1 | 22427-39-0 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C | — | Details |
| ginsenoside Rg3 | 14197-60-5 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C | — | Details |
| ginsenoside Rg5 | 186763-78-0 | CC(=CC/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)C | — | Details |
| ginsenoside Rg6 | 147419-93-0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5C(=C)CCC=C(C)C)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O | — | Details |
| ginsenoside Rh1 | 63223-86-9 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C | — | Details |
| ginsenoside Rk1 | — | CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)C | — | Details |
| ginsenoside-Ro | 34367-04-9 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O | — | Details |
| ginsenosides Rf, Rd, Re and Rb1 | — | — | — | Details |
| glansreginin A | 860267-30-7 | CC(CC=CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2(CC(=O)NC3=CC=CC=C32)C(=O)O)O)O)O)C(CC(=O)O)O | — | Details |
| glansreginin A butyl ester | — | CCCCOC(=O)CC(C(C)CC=CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2(CC(=O)NC3=CC=CC=C32)C(=O)O)O)O)O)O | — | Details |
| glaucine | 475-81-0 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC | — | Details |
| gliotoxin | 67-99-2 | CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O | CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O | Details |
| glisoflavone | 125709-32-2 | — | CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3)O)OC)O)O)C | Details |
| globosin | 16955-52-5 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C[C@H]([N+](=C/C=C/5\C[C@H](NC(=C5)C(=O)O)C(=O)O)C4=C3)C(=O)[O-])O)O)O)O)O | — | Details |
| globularicisin | 76248-14-1 | C1=CC=C(C=C1)/C=C\C(=O)OC[C@@]23[C@@H]4[C@@H](C=COC4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O | — | Details |
| globularimin | — | O=C(/C=C/c1ccccc1)OC[C@]4(O)[C@H](O)[C@@H](O)C3C=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C34 | — | Details |
| globularin | 1399-49-1 | C1=CC=C(C=C1)/C=C/C(=O)OC[C@@]23[C@@H]4[C@@H](C=CO[C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O | — | Details |
| globularinin | — | O=C(/C=C/c1ccccc1)OC[C@@]4(O)[C@@H](O)[C@@H](O)C3C=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C34 | — | Details |
| glucoarabin | 67920-64-3 | CS(=O)CCCCCCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | — | Details |
| glucocamelinin | 67884-10-0 | CS(=O)CCCCCCCCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\OS(=O)(=O)O[K] | — | Details |
| glucodigifucoside | 2446-63-1 | C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | — | Details |
| glucoiberin | 15592-34-4 | CS(=O)CCC/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+] | — | Details |
| glucoraphanin | 21414-41-5 | CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O | — | Details |
| glucuronic acid | 528-16-5 | C1(C(C(OC(C1O)O)C(=O)O)O)O | — | Details |
| glucuronyl akebonoic acid adduct [M+Cl]− | — | — | — | Details |
| glucuronyl akebonoic acid hexoside | — | — | — | Details |
| glucuronyl akebonoic acid hexoside derivative | — | — | — | Details |
| glucuronyl oleanolic acid | — | — | — | Details |
| glucuronyl oleanolic acid derivative | — | — | — | Details |
| glucuronyl oleanolic acid dihexoside derivative | — | — | — | Details |
| glucuronyl oleanolic acid hexoside | — | — | — | Details |
| glycitein | 40957-83-3 | — | — | Details |
| glycitin | 40246-10-4 | COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| glycoglycerolipid monomers, GCL I | — | — | — | Details |
| glycoglycerolipid monomers, GCL II | — | — | — | Details |
| glycoglycerolipid monomers, GCL III | — | — | — | Details |
| glycyrrhizic acid | 1405-86-3 | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O | — | Details |
| gmelinoside L | — | CC(=O)O[C@@H]5[C@H](O)[C@@H](O[C@H]3[C@@H]2C=CO[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@]4(CO)O[C@@H]34)O[C@H](C)[C@H]5OC(=O)/C=C/c6ccccc6 | — | Details |
| gomisin A | 58546-54-6 | C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@]1(C)O)OC)OC)OC)OC)OCO3 | — | Details |
| gomisin J | 66280-25-9 | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)O)OC)OC)OC)OC)O | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)O)OC)OC)OC)OC)O | Details |
| gracillin | 19083-00-2 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| grevillosides J–Q | — | CC[C@H](C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)O)O)O)O | — | Details |
| grosvenorine | 156980-60-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)O | — | Details |
| guaianin | 101021-00-5 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O | — | Details |
| guanfu base A | — | CC(=O)O[C@H]1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)C3[C@]6([C@@H]([C@H]7[C@H]([C@@H]5C6(C4)CC7=C)O)OC(=O)C)O)C | — | Details |
| guanfu base AA | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](O)CC15C2[C@H](O)C3C(O)[C@]4(O)C5N6C7 | — | Details |
| guanfu base F | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](OC(=O)C(C)C)CC15C2[C@H](O)C3C(OC(C)=O)[C@]4(O)C5N6C7 | — | Details |
| guanfu base G | — | CC(=O)O[C@H]1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)C3[C@]6([C@@H]([C@H]7[C@H]([C@@H]5C6(C4)CC7=C)OC(=O)C)OC(=O)C)O)C | — | Details |
| guanfu base I | — | CC(=O)O[C@H]1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)C3[C@]6([C@@H]([C@H]7[C@H]([C@@H]5C6(C4)CC7=C)O)O)O)C | — | Details |
| guanfu base O | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](OC(=O)CC)CC15C2[C@H](O)C3C(OC(C)=O)[C@]4(O)C5N6C7 | — | Details |
| guanfu base P | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](OC(=O)C(C)C)CC15C2[C@H](OC(C)=O)C3C(OC(C)=O)[C@]4(O)C5N6C7 | — | Details |
| guanfu base Q | — | C=C3CC24C[C@@]6(O)C1[C@@]7(C)C[C@H](O)[C@@H](OC(C)=O)C15C2CC3C(=O)C4C5N6C7 | — | Details |
| guanfu base R | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](OC(=O)CC)CC15C2[C@H](OC(C)=O)C3C(OC(C)=O)[C@]4(O)C5N6C7 | — | Details |
| guanfu base Z | — | C=C3CC24CC6C1[C@@]7(C)C[C@H](OC(=O)C(C)C)CC15C2[C@H](O)C3C(O)[C@]4(O)C5N6C7 | — | Details |
| guineensine | 55038-30-7 | CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| guyanin | — | COC(=O)CC(C(C)(C)C(=O)OC)[C@]1(C)C(=O)C=C(C)C12CC[C@]3(C)C2=CC(=O)O[C@H]3c4ccoc4 | — | Details |
| gypenoside XVII | 80321-69-3 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C | — | Details |
| gypsogenin-3-O-β-D-galactopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucuronopyranoside | — | [H][C@@]78CC[C@]6(C)C(CC=C5C1C[C@](C)(C)CC[C@]1(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]56C)[C@@]7(C)CC[C@H](O)[C@@]8(C)C=O | — | Details |
| gypsogenin-α-D-galactopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl ester | — | [H][C@@]89CC[C@]7(C)C(CC=C6C1C[C@](C)(C)CC[C@]1(CC(=O)O[C@@H]5O[C@H](CO[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]5O)CC[C@]67C)[C@@]8(C)CC[C@H](O)[C@@]9(C)C=O | — | Details |
| haematocin | #N/A | CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(CC5=CC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)OC(=O)C)SC | CC(=O)OC1C=CC=C2C1N3C(=O)C4(CC5=CC=CC(C5N4C(=O)C3(C2)SC)OC(=O)C)SC | Details |
| hainanmurpanin | 95360-22-8 | #N/A | CC(C)C(=O)C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC(=O)C | Details |
| hamatine | 32221-59-3 | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC | — | Details |
| haplopine | 5876-17-5 | — | COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O | Details |
| harmaline | 304-21-2 | — | — | Details |
| harmine | 442-51-3 | — | — | Details |
| hastatoside | 50816-24-5 | C[C@H]1CC(=O)[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | CC1CC(=O)C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O | Details |
| hederagenin | 465-99-6 | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O | — | Details |
| hederagenin 3-O-ß-D-xylopyranosyl-(1-3)-α-L-rhamnopyranosyl-(1-2)-α-L-arabinopyranoside | 30994-75-3 | C[C@@H]8O[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O[C@H]6CC[C@]5(C)[C@H]4CC=C3[C@@H]2C[C@](C)(C)CC[C@]2(C(=O)O)CC[C@@]3(C)[C@]4(C)CC[C@H]5[C@]6(C)CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]8O | — | Details |
| hederagenin-3-O-ß-D-glucopyranosyl-(1-2)-α-L-arabinopyranoside | 20853-58-1 | CC7(C)CC[C@]6(C(=O)O)CC[C@]5(C)C(=CC[C@@H]4[C@@]3(C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)[C@@H]3CC[C@]45C)[C@@H]6C7 | — | Details |
| hederagenin-3-O-ß-D-glucuropyranoside | 85889-27-6 | CC6(C)CC[C@]5(C(=O)O)CC[C@]4(C)C(=CC[C@@H]3[C@@]2(C)CC[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@](C)(CO)[C@@H]2CC[C@]34C)[C@@H]5C6 | — | Details |
| hederagenin-3-O-α-L-arabinopyranoside | 17184-21-3 | CC6(C)CC[C@]5(C(=O)O)CC[C@]4(C)C(=CC[C@@H]3[C@@]2(C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@](C)(CO)[C@@H]2CC[C@]34C)[C@@H]5C6 | — | Details |
| hepta-O-galloylglucose | — | — | — | Details |
| heptadecanoic acid | 506-12-7 | — | CCCCCCCCCCCCCCCCC(=O)O | Details |
| herbacetin-3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside | — | C[C@@H]5O[C@@H](Oc4cc(O)c3c(=O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc3c4O)[C@H](C)[C@H](C)[C@H]5C | — | Details |
| herbacetin-8-O-β-D-glucopyranoside | 11021-22-0 | O=c3c(O)c(c1ccc(O)cc1)oc4c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)cc(O)c34 | — | Details |
| herniarin | 531-59-9 | — | COC1=CC2=C(C=C1)C=CC(=O)O2 | Details |
| hesperetin | 520-33-2 | COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O | — | Details |
| hesperidin | 520-26-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O | — | Details |
| hetisine | 10089-23-3 | — | — | Details |
| hetisinone | 4829-55-4 | C[C@]12CC(=O)C[C@]34[C@@H]1[C@@H]5C[C@]67[C@H]3[C@@H]([C@H](C([C@@H]6[C@H]4N5C2)O)C(=C)C7)O | — | Details |
| heveaflavone | 23132-13-0 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O | Details |
| hexa-O-galloylglucose | — | — | — | Details |
| hexachlorobenzene | 118-74-1 | — | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl | Details |
| hexanoic acid | 142-62-1 | — | CCCCCC(=O)O | Details |
| hinokiflavone | 19202-36-9 | — | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O | Details |
| hinokinin | 26543-89-5 | C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 | — | Details |
| hippophanone | #N/A | #N/A | #N/A | Details |
| hirsutanonol 5-O-β-D-glucopyranoside | 93915-36-7 | C1=CC(=C(C=C1CCC(CC(=O)CCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O | — | Details |
| hirsuteine | 35467-43-7 | CO/C=C(\[C@H]1C[C@@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3)/C(=O)OC | COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC | Details |
| hirsutenone | 41137-87-5 | C1=CC(=C(C=C1CCC=CC(=O)CCC2=CC(=C(C=C2)O)O)O)O | — | Details |
| hirsutine | 7729-23-9 | CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=CC=CC=C34 | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 | Details |
| hispidulin | 1447-88-7 | — | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O | Details |
| homoeriodictyol | 446-71-9 | COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O | — | Details |
| homoplantaginin | 17680-84-1 | COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| hopeaphenol | 17912-85-5 | C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O | — | Details |
| humantenine | 82375-29-9 | C/C=C/1\CN([C@H]2C[C@@]3([C@@H]4C[C@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC)C | — | Details |
| humulone | 26472-41-3 | CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O | — | Details |
| huperzine A | 102518-79-6 | C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 | — | Details |
| huperzine B | 103548-82-9 | CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 | — | Details |
| hydrocortisone | 50-23-7 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O | Details |
| hydroxy-α-sanshool | 83883-10-7 | C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)O | — | Details |
| hydroxy-β-sanshool | 97465-69-5 | C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O | — | Details |
| hydroxy-ε-sanshool | 78886-66-5 | C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O | — | Details |
| hydroxyneosenkirkine | — | C\C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@]2([C@@H](CC3)OC1=O)O)C)(CO)O)C | — | Details |
| hydroxysafflor yellow A | 78281-02-4 | CO[C@H]4OC([C@@H]2C=C(O)C(O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=C2C(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| hydroxysenkirkine | 26782-43-4 | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@]2([C@@H](CC3)OC1=O)O)C)(CO)O)C | — | Details |
| hylocerenin | 403517-96-4 | CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)C[C@H](N3/C=C/C4=CC(=N[C@@H](C4)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O | — | Details |
| hypaconitine | 6900-87-4 | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2C6N(C7)C)OC)COC)OC | — | Details |
| hypericin | 548-04-9 | #N/A | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O | Details |
| hyperin | 482-36-0 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| hyperoside | 482-36-0 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| hypholomine B | #N/A | C1=CC(=C(C=C1/C=C/C2=CC3=C([C@@H]([C@H](O3)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=O)O5)O)C(=O)O2)O)O | C1=CC(=C(C=C1C=CC2=CC3=C(C(C(O3)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=O)O5)O)C(=O)O2)O)O | Details |
| hypocrellin A | 77029-83-5 | COc1cc(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@H](C(C)=O)c4c(OC)c(O)c5c(=O)cc(OC)c6c1c2c3c4c56 | — | Details |
| hypocrellin B | 123940-54-5 | COc1cc(=O)c2c(O)c(OC)c3C[C@](C)(O)[C@H](C(C)=O)c4c(OC)c(O)c5c(=O)cc(OC)c6c1c2c3c4c56 | — | Details |
| hypocrellin C | 149457-83-0 | — | COc1cc(=O)c2c(O)c(OC)c3CC(C)=C(C(C)=O)c4c(OC)c(O)c5c(=O)cc(OC)c6c1c2c3c4c56 | Details |
| hypolide | 74285-86-2 | CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O | — | Details |
| ibuprofen | 15687-27-1 | #N/A | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | Details |
| icariin | 489-32-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O | — | Details |
| icariside II | 113558-15-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O | — | Details |
| illudin S | 1149-99-1 | CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O | CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O | Details |
| imbricatolic acid | — | C[C@@H](CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)CCO | — | Details |
| imperatorin | 482-44-0 | — | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C | Details |
| indigo | 482-89-3 | #N/A | C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O | Details |
| indigoticoside A | — | COC1=C(C=CC(=C1)CC2COCC2C(C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| indirubin | 479-41-4 | #N/A | C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O | Details |
| indole-3-acetamide | 879-37-8 | — | C1=CC=C2C(=C1)C(=CN2)CC(=O)N | Details |
| indole-3-acetic acid | 87-51-4 | — | C1=CC=C2C(=C1)C(=CN2)CC(=O)O | Details |
| indole-3-acetonitrile | 771-51-7 | — | C1=CC=C2C(=C1)C(=CN2)CC#N | Details |
| indole-3-butyric acid | 133-32-4 | — | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O | Details |
| indole-5-carbaldehyde | 1196-69-6 | — | — | Details |
| inflacoumarin A | — | C/C(C)=C\Cc3cc2c(c1ccc(O)cc1)cc(=O)oc2cc3O | — | Details |
| inoscavin A | — | CC1=CC(=O)C2(O1)C(OC3=C2C(=O)OC(=C3)/C=C/C4=CC(=C(C=C4)O)O)C5=CC(=C(C=C5)O)O | — | Details |
| inotodiol | 35963-37-2 | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](CC=C(C)C)O | — | Details |
| integerrimine | 480-79-5 | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C | — | Details |
| intermedeol | 6168-59-8 | CC(=C)[C@@H]1CC[C@@]2(CCC[C@]([C@H]2C1)(C)O)C | — | Details |
| intermedine | 10285-06-0 | C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O | CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O | Details |
| iresinin | 78413-55-5 | C[C@@](CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)C[C@H]([N+]3=C/C=C/4\C[C@H](NC(=C4)C(=O)O)C(=O)O)C(=O)[O-])O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O | — | Details |
| iridin | 491-74-7 | COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| iriflophenone-3-C-glucoside | 104669-02-5 | C1=CC(=CC=C1C(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | — | Details |
| irigenin | 548-76-5 | — | COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O | Details |
| irilin D | — | — | COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)O)O)O | Details |
| irilone | #N/A | #N/A | #N/A | Details |
| irisflorentin | 41743-73-1 | — | COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 | Details |
| irisfloretin | 41743-73-1 | — | COc4cc(c3coc2cc1OCOc1c(OC)c2c3=O)cc(OC)c4OC | Details |
| iristectorigenin A | — | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O | — | Details |
| iristectorin A | 37744-61-9 | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| iristectorin B | — | COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| isoacteoside | 61303-13-7 | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| isoaloeresin D | 181489-99-6 | CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)OC | — | Details |
| isoamaranthine | #N/A | #N/A | #N/A | Details |
| isoangustone A | 129280-34-8 | — | CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)O)C | Details |
| isoastilbin | 29838-67-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| isobavachalcone | 20784-50-3 | CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C | — | Details |
| isobutrin | 536-01-6 | C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| isobutyrylshikonin | 52438-12-7 | CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O | — | Details |
| isocelosianin I | #N/A | C1[C@H](N=C(C=C1/C=C/N2[C@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)OC(=O)/C=C/C6=CC=C(C=C6)O)C(=O)O)C(=O)O)C(=O)O | C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)C(=O)O)C(=O)O)C(=O)O | Details |
| isocelosianin II | #N/A | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=C(C=C5C(=C4)C[C@@H](N5/C=C/C6=CC(=N[C@@H](C6)C(=O)O)C(=O)O)C(=O)O)O)CO)O)O)C(=O)O)O)O)O | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(C=C5C(=C4)CC(N5C=CC6=CC(=NC(C6)C(=O)O)C(=O)O)C(=O)O)O)CO)O)O)C(=O)O)O)O)O | Details |
| isocorydine | 475-67-2 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC | Details |
| isocorydione | 75652-90-3 | #N/A | CN1CCC2=CC(=C(C3=C4C(=CC1=C23)C(=O)C=C(C4=O)OC)OC)OC | Details |
| isocorynoxeine | 51014-29-0 | CO/C=C(\[C@H]1C[C@H]2[C@]3(CCN2C[C@@H]1C=C)C4=CC=CC=C4NC3=O)/C(=O)OC | COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC | Details |
| isocryptomerin | 20931-58-2 | — | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O | Details |
| isocupressic acid | 1909-91-7 | C/C(=C\CO)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C | — | Details |
| isodemethylwedelolactone | 350681-33-3 | — | C1=C(C=C(C2=C1C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O)O | Details |
| isodiospyrin | 20175-84-2 | — | — | Details |
| isoengelitin | 30987-58-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O | — | Details |
| isoetin-7-O-β-D-glucopyranosyl-2′-O-α-D-glucopyranoside | — | O=c4cc(c1c(O)c(O)ccc1O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc5cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45 | — | Details |
| isoetin-7-O-β-D-glucopyranosyl-2′-O-α-D-xylopyranoside | — | O=c4cc(c1c(O)c(O)ccc1O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)oc5cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45 | — | Details |
| isoetin-7-O-β-D-glucopyranosyl-2′-O-α-L-arabinopyranoside | — | O=c4cc(c1c(O)c(O)ccc1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)oc5cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c45 | — | Details |
| isofebrifugine | 32434-44-9 | C1C[C@H]2[C@H](CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1 | — | Details |
| isofraxidin | 486-21-5 | — | COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O | Details |
| isogambogic acids | 2752-65-0 | CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(\C)/C(=O)O)O)C)C | — | Details |
| isogermafurenolide | 20267-89-4 | CC1=C2C[C@H]([C@](C[C@@H]2OC1=O)(C)C=C)C(=C)C | — | Details |
| isoginkgetin | 548-19-6 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC | Details |
| isohamnetin acetyl hexoside desoxyhexoside | — | — | — | Details |
| isohamnetin hexoside | — | — | — | Details |
| isohamnetin hexoside adduct [M+NO3]− | — | — | — | Details |
| isohamnetin hexoside derivative | — | — | — | Details |
| isohamnetin hexoside desoxyhexoside | — | — | — | Details |
| isohamnetin hexoside desoxyhexoside adduct [M+Cl]− | — | — | — | Details |
| isohamnetin hexoside desoxyhexoside derivative | — | — | — | Details |
| isohamnetin pentoside desoxyhexoside | — | — | — | Details |
| isohamnetin pentoside desoxyhexoside adduct [M+Cl]− | — | — | — | Details |
| isoimperatorin | 482-45-1 | — | CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C | Details |
| isoiridin | — | COC1=CC(=CC(=C1OC)O)C2COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| isoirigenin | — | — | COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=CC(=C3OC)O)O | Details |
| isoliensinine | 6817-41-0 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)OC | — | Details |
| isolindleyin | 87075-18-1 | CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O | CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O | Details |
| isoliquiritigenin | 961-29-5 | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O | — | Details |
| isoliquiritin | 5041-81-6 | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| isolysergic amide | 2889-26-1 | CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N | — | Details |
| isomangiferin | 24699-16-9 | C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| isomenthon | 18309-28-9 | C[C@H]1CC[C@H](C(=O)C1)C(C)C | — | Details |
| isomeranzin | 1088-17-1 | — | CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC | Details |
| isonaringin | 14259-46-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| isoneotriptophenolide | 81827-74-9 | CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O | — | Details |
| isoorientin | 4261-42-1 | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| isoorientin-7,3'-dimethyl ether | 74198-15-5 | — | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)C4C(C(C(C(O4)CO)O)O)O)O)O | Details |
| isopimaric acid | 5835-26-7 | C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C | — | Details |
| isopimpinellin | 482-27-9 | — | COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC | Details |
| isopodoverine D | #N/A | COc7c(c5ccc(O)c(Oc3cc(O)cc4O[C@@]2(c1ccc(O)cc1)O[C@@]2(O)C(=O)c34)c5C/C=C(C)/C)oc6cc(O)cc(O)c6c7=O | #N/A | Details |
| isopodoverine E | #N/A | COc7ccc([C@@]56Oc4cc(O)cc(Oc3c(O)ccc(c2oc1cc(O)cc(O)c1c(=O)c2OC)c3C/C=C(C)\C)c4C(=O)[C@]5(O)O6)cc7 | #N/A | Details |
| isopsoralen | 523-50-2 | — | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 | Details |
| isoquercetin | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| isoquercitrin | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| isoreserpiline | 572-67-8 | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC | — | Details |
| isorhamnetin | 480-19-3 | — | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| isorhamnetin-3-(Ac)-glucoside | — | COc4cc(c2oc1cc(O)cc(O)c1c(=O)c2O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)ccc4O | — | Details |
| isorhamnetin-3-O-glucoside | 5041-82-7 | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| isorhamnetin-3-O-β-D-glucoside | 5041-82-7 | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| isorhamnetin-3-O-β-D-glucosyl-(1-2)-a-L-rhamnoside | — | COc5cc(c2oc1cc(O)cc(O)c1c(=O)c2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc5O | — | Details |
| isorhamnetin-3-O-β-D-glucuronide | 36687-76-0 | COc4cc(c2oc1cc(O)cc(O)c1c(=O)c2O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc4O | — | Details |
| isorhamnetin-3-O-β-D-glucuronide-6’’-methyl ester | — | COC(=O)[C@H]4O[C@@H](Oc3c(c1ccc(O)c(OC)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| isorhamnetin-3-O-β-D-rutinoside | 604-80-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | — | Details |
| isorhamnetin-3-O-β-rutinoside | 604-80-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | — | Details |
| isorhamnetin-3-gentiobioside | 17429-69-5 | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O | — | Details |
| isorhamnetin-3-sulphate | — | — | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)[O-])[O-] | Details |
| isorhamnetol 3-O-rutinoside | 604-80-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | — | Details |
| isorhapontigenin | 32507-66-7 | COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O | — | Details |
| isorhynchophylline | 6859-01-4 | CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O | Details |
| isorugosin A | — | O=C(O)c1cc(O)c(O)c(O)c1Oc4cc3C(=O)O[C@@H]7[C@@H](COC(=O)c2cc(O)c(O)c(O)c2c3c(O)c4O)O[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)[C@H]7OC(=O)c8cc(O)c(O)c(O)c8 | — | Details |
| isoscoparin 7-o-(6′′′-feruloyl) glucoside | — | COc6cc(/C=C/C(=O)OC[C@H]5O[C@@H](Oc3cc2oc(c1ccc(O)c(OC)c1)cc(=O)c2c(O)c3[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]5O)ccc6O | — | Details |
| isosilybin | 72581-71-6 | — | — | Details |
| isosilybinin | 72581-71-6 | — | — | Details |
| isosinensetin | 17290-70-9 | — | — | Details |
| isostrictinin | — | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@H]3[C@H]([C@@H]([C@H](O2)CO)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O | — | Details |
| isosuillin | 126398-82-1 | CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC1=C(C=CC(=C1OC(=O)C)O)O)/C)/C)/C)C | CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1OC(=O)C)O)O)C)C)C)C | Details |
| isovalerylshikonin | 52387-14-1 | CC(C)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O | — | Details |
| isoverbacoside | 61303-13-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O | Details |
| isoverbascoside | 61303-13-7 | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| isovitexin | 38953-85-4 | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| isovitexin-3''-O-glucopyranoside | — | O=c4cc(c1ccc(O)cc1)oc5cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2CO)[C@H]3O)c(O)c45 | — | Details |
| isovogeloside | 118627-52-4 | COC1C[C@H]2[C@H]([C@@H](OC=C2C(=O)O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C | — | Details |
| isoxanthohumol | 521-48-2 | — | — | Details |
| isoyuanhuacine | — | C=C(C)[C@@]16O[C@@]5(/C=C/C=C/C=C\CCCCC)O[C@@H]1[C@@H]4[C@@H]2O[C@]2(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3C4(O5)[C@H](C)[C@H]6OC(=O)c7ccccc7 | — | Details |
| isoyuanhuadine | — | CCCCC/C=C\C=C\C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO | — | Details |
| jaceosidin; (5,7,4′-trihydroxy-6,3′-dimethoxyflavone) | 18085-97-7 | — | — | Details |
| jasmolin I | 4466-14-2 | CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C | CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C)C | Details |
| jasmolin II | 1172-63-0 | CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C | CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C | Details |
| jatrorhizine | 3621-38-3 | — | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC | Details |
| jatrorrhizine | 3621-38-3 | — | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC | Details |
| javanicin | 476-45-9 | — | CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C | Details |
| juglone | 481-39-0 | #N/A | C1=CC2=C(C(=O)C=CC2=O)C(=C1)O | Details |
| julibroside J5 | — | C=C[C@@](C)(CC/C=C(C)\C(=O)O[C@@H]%13[C@@H](C)O[C@@H](O[C@](C)(C=C)CC/C=C(CO)\C(=O)O[C@H]%12C[C@]%11(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]4O[C@@H](C)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)[C@H](O)C[C@]%10(C)C(=CC[C@@H]9[C@@]8(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]8CC[C@]9%10C)[C@@H]%11CC%12(C)C)[C@H](O)[C@H]%13O)O[C@@H]%14O[C@H](C)[C@@H](O)[C@H](O)[C@H]%14O | — | Details |
| julibroside J5 and J5a . | — | — | — | Details |
| julibroside J5a | — | C=C[C@@](C)(CC/C=C(C)\C(=O)O[C@H]%13[C@H](O)[C@@H](C)O[C@@H](O[C@](C)(C=C)CC/C=C(CO)\C(=O)O[C@H]%12C[C@]%11(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]4O[C@@H](C)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)[C@H](O)C[C@]%10(C)C(=CC[C@@H]9[C@@]8(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]8CC[C@]9%10C)[C@@H]%11CC%12(C)C)[C@@H]%13O)O[C@@H]%14O[C@H](C)[C@@H](O)[C@H](O)[C@H]%14O | — | Details |
| juvenimicin A4 | — | CC[C@H]3OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]1O[C@@H](C)C[C@@H](N(C)C)[C@H]1O)[C@@H](CC)C(CCO)[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]3C | — | Details |
| kaemferol | 520-18-3 | — | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| kaempferide | 491-54-3 | #N/A | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| kaempferitrin | 482-38-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O | — | Details |
| kaempferitrin A | — | C[C@@H]5O[C@@H](Oc4cc(O)c3c(=O)c(O[C@@H]1O[C@@H](C)[C@H](OC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H]1O)c(c2ccc(O)cc2)oc3c4)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| kaempferol | 520-18-3 | — | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| kaempferol 3-O-(6'''-p-coumaroylglucosyl-ß-1,4-rhamnoside) | 102231-39-0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O | — | Details |
| kaempferol 3-O-[α-rhamnosyl-(1-2)-α-rhamnosyl-(1-6)]-ß-glucoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O)O | — | Details |
| kaempferol 3-O-methyl ether | 1592-70-7 | — | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O | Details |
| kaempferol 3-O-ß-glucoside | 480-10-4 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| kaempferol 3-O-α[apiofuranosyl-(1 → 2)]-α-rhamnopyranoside | #N/A | #N/A | #N/A | Details |
| kaempferol 3-O-α[apiofuranosyl-(1 → 2)]-β-galactopyranoside | #N/A | #N/A | #N/A | Details |
| kaempferol 7–O–α–L–rhamnopyranoside | #N/A | #N/A | #N/A | Details |
| kaempferol dihexoside | — | — | — | Details |
| kaempferol hexoside | — | — | — | Details |
| kaempferol hexoside adduct [M+Cl]− | — | — | — | Details |
| kaempferol hexoside adduct [M+NO3]− | — | — | — | Details |
| kaempferol rhamnoglucoside | — | C[C@@H]4OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| kaempferol-3,4'-di-O-β-D-glucopyranoside | 71939-16-7 | O=c4c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c3ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3)oc5cc(O)cc(O)c45 | — | Details |
| kaempferol-3,7-O-α-L-dirhamnopyranoside | — | O=c4c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c3ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3)oc5cc(O)cc(O)c45O=c4c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c3ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3)oc5cc(O)cc(O)c45 | — | Details |
| kaempferol-3-(Ac)-glucoside | — | CC(=O)OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| kaempferol-3-O-(2-O-β-D-glucopyranosyl)-β-D-glucopyranoside | 19895-95-5 | O=c4c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c3ccc(O)cc3)oc5cc(O)cc(O)c45 | — | Details |
| kaempferol-3-O-(6''-O-galloyl)-glucoside | 482-39-3 | C[C@@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| kaempferol-3-O-a-L-rhamnopyranoside | — | O=c3c(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34 | — | Details |
| kaempferol-3-O-galactoside | 23627-87-4 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O | — | Details |
| kaempferol-3-O-glucoside | 480-10-4 | O=c3c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34 | — | Details |
| kaempferol-3-O-rhamnoglucoside | — | C[C@@H]4OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| kaempferol-3-O-rhamnoside-7-O-(6-feruloylgluco-(1–3)-rhamnoside) | — | COc7cc(C=CC(=O)OC[C@H]6O[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@H](Oc4cc(O)c3c(=O)c(O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)c(c2ccc(O)cc2)oc3c4)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]6O)ccc7O | — | Details |
| kaempferol-3-O-robinobioside | #N/A | #N/A | #N/A | Details |
| kaempferol-3-O-rutinoside | 17650-84-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O | — | Details |
| kaempferol-3-O-α-L-rhamnopyranosyl-(1→3)- α-L-rhamnopyranosyl-(1→6)-β-D-galactopyranoside | — | C[C@@H]6O[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]5O)[C@H](O)[C@H](O)[C@H]6O | — | Details |
| kaempferol-3-O-α-L-rhamnopyranosyl-(1→3)-(2,4-di-O-acetyl-α-L-rhamnopyranosyl)-(1→6)-β-D-galactopyranoside | — | CC(=O)O[C@H]5[C@H](C)O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](OC(C)=O)[C@@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O | — | Details |
| kaempferol-3-O-α-L-rhamnopyranosyl-(1→3)-(4-O-acetyl-α-L-rhamnopyranosyl)-(1→6)-β-D-galactopyranoside | — | CC(=O)O[C@H]5[C@H](C)O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O | — | Details |
| kaempferol-3-O-α-rhamnoside | 482-39-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O | — | Details |
| kaempferol-3-O-β-D-glucopyranoside | — | O=c3c(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc4cc(O)cc(O)c34 | — | Details |
| kaempferol-3-O-β-D-glucopyranoside-(2→1)-β-D-xylopyranoside | — | O=c4c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(c3ccc(O)cc3)oc5cc(O)cc(O)c45 | — | Details |
| kaempferol-3-O-β-D-glucopyranosyl-(2-1)-a-L-rhamnopyranoside | 142451-65-8 | C[C@@H]5O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O | — | Details |
| kaempferol-3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside | 2392-95-2 | C[C@@H]5O[C@@H](Oc4cc(O)c3c(=O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)cc2)oc3c4)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| kaempferol-3-O-β-D-glucoside | — | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| kaempferol-3-O-β-D-sophoroside | — | O=c4c(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c3ccc(O)cc3)oc5cc(O)cc(O)c45 | — | Details |
| kaempferol-3-O-β-L-ramnopyranosyl-(1-6)-β-D-glucopyranoside | — | C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Cc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| kaempferol-3-rutinoside | 17650-84-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O | — | Details |
| kaempferol-3-α-L-rhamnosyl-7-β-xylopyranoside | — | C[C@@H]5O[C@@H](Oc4c(c1ccc(O)cc1)oc3cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3c4=O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| kaempferol-7-O-glucoside | 16290-07-6 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| kaempferol-7-O-α-L-rhamnopyranoside | 20196-89-8 | C[C@@H]4O[C@@H](Oc3cc(O)c2c(=O)c(O)c(c1ccc(O)cc1)oc2c3)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| kaempferol-7-O-β-D-glucoside | 16290-07-6 | O=c3c(O)c(c1ccc(O)cc1)oc4cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c34 | — | Details |
| kaempferol-malonyl-glycoside | 81149-02-2 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O | — | Details |
| kaempherol | 520-18-3 | — | — | Details |
| kaichianone A | — | CC1=C(C2=CC(=O)C3=C([C@]2(CC1=O)C)C(=C4C(=C3O)C[C@@H](O4)CO)O)C | kaichianone A: CC1=C(C2=CC(=O)C3=C(C2(CC1=O)C)C(=C4C(=C3O)CC(O4)CO)O)C, kaichianone B: CC12CCC3CC3(C1CC(=O)C4=C2C(=C5C(=C4O)CC(O5)CO)O)C | Details |
| kaichianone B | — | C[C@]12CC[C@H]3C[C@]3([C@@H]1CC(=O)C4=C2C(=C5C(=C4O)C[C@@H](O5)CO)O)C | kaichianone A: CC1=C(C2=CC(=O)C3=C(C2(CC1=O)C)C(=C4C(=C3O)CC(O4)CO)O)C, kaichianone B: CC12CCC3CC3(C1CC(=O)C4=C2C(=C5C(=C4O)CC(O5)CO)O)C | Details |
| karakin | 1400-11-9 | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O | — | Details |
| kaurenoic acid | 6730-83-2 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O | CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O | Details |
| kaurenoic acids | 6730-83-2 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O | — | Details |
| kavain | 500-64-1 | COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2 | — | Details |
| ketoprofen | 22071-15-4 | #N/A | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O | Details |
| kingiside | 25406-67-1 | C[C@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC | CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC | Details |
| kolaflavonone | — | COc6ccc(C1Oc2c(C(=O)C1O)c(O)cc(O)c2c5c(c3ccc(O)cc3)oc4cc(O)cc(O)c4c5=O)cc6 | — | Details |
| koumine | 1358-76-5 | — | CN1CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C | Details |
| kudtdiol | 70142-90-4 | C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)[C@](C)(CO)O | — | Details |
| kumatakenin | 3301-49-3 | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O | — | Details |
| kuraridin | 34981-25-4 | CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C(=C)C)C | — | Details |
| kurarinone | 34981-26-5 | CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C | — | Details |
| kushenol I | — | CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C | — | Details |
| l-hydroxy-2,3,4,5-tetramethoxyxanthone | 22961-79-1 | — | — | Details |
| l-romerine | 548-08-3 | CN3CCc4cc1OCOc1c5c2ccccc2CC3c45 | — | Details |
| lactucin | 1891-29-8 | CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO | — | Details |
| lactucopicrin | 65725-11-3 | CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO | — | Details |
| laferin | — | [H][C@@]12C(C)=CC(=O)C1=C(C)C=C(OC(=O)/C(C)=C\C)[C@]3([H])[C@@]2([H])OC(=O)[C@@]3(C)OC(C)=O | — | Details |
| lanatoside C | 17575-22-3 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O | — | Details |
| lancemaside A | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O | — | Details |
| lanosterol | 79-63-0 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C | CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C | Details |
| lapachol | 84-79-7 | #N/A | CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C | Details |
| lappaconitine | 32854-75-4 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C | — | Details |
| lappaol F | 69394-17-8 | COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)C[C@H]4COC(=O)[C@@H]4CC5=CC6=C(C(=C5)OC)O[C@@H]([C@H]6CO)C7=CC(=C(C=C7)O)OC | — | Details |
| ledebouriellol | — | C/C=C(/C)\C(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C | — | Details |
| lehmannin | #N/A | #N/A | CC(=CCC(CC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C(=C)C)C | Details |
| leptodactylone | 61899-44-3 | — | COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC | Details |
| leucosceptoside B | 83529-63-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| levistolide A | 88182-33-6 | CCC/C=C\1/C2=C([C@H]3[C@@H](CC2)[C@@H]4CC[C@@]3\5C(=C4)C(=O)O/C5=C\CCC)C(=O)O1 | — | Details |
| licoagrochalcone B | 325144-67-0 | CC1(C=CC2=C(O1)C=CC(=C2OC)/C=C/C(=O)C3=CC=C(C=C3)O)C | — | Details |
| licoarylcoumarin | 125709-31-1 | — | CC(C)(C=C)C1=C2C(=C(C=C1O)OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O | Details |
| licochalcone A | 58749-22-7 | CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O | — | Details |
| licocoumarone | 118524-14-4 | — | CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C | Details |
| licopyranocoumarin | 117038-80-9 | — | CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO | Details |
| licorice-saponin A3 | 118325-22-7 | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O | — | Details |
| liensinine | 2586-96-1 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC | — | Details |
| ligstroside | 35897-92-8 | CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O | — | Details |
| limoniastramide | — | O=C(/C=C\3c1cc(O)c(O)cc1[C@H](c2ccc(O)c(O)c2)[C@@H]3C(=O)NCCc4ccc(O)cc4)NCCc5ccc(O)cc5 | — | Details |
| linalool | 78-70-6 | — | CC(=CCCC(C)(C=C)O)C | Details |
| linalyl acetate | 115-95-7 | — | CC(=CCCC(C)(C=C)OC(=O)C)C | Details |
| linarin | 480-36-4 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O | — | Details |
| lindenin | — | COc6cc(/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc5cc4C[C@@H](C(=O)[O-])[N+](=C/C=C\3C=C(C(=O)O)N[C@H](C(=O)O)C3)c4cc5O)cc(OC)c6O | — | Details |
| lindleyin | 59282-56-3 | CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O | CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O | Details |
| linoleic acid | 60-33-3 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | CCCCCC=CCC=CCCCCCCCC(=O)O | Details |
| linolenic acid | 463-40-1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | CCC=CCC=CCC=CCCCCCCCC(=O)O | Details |
| lipiferolide | 41059-80-7 | C/C/1=C\CC[C@@]2(C(O2)[C@@H]3[C@@H]([C@@H](C1)OC(=O)C)C(=C)C(=O)O3)C | — | Details |
| liquiritigenin | 578-86-9 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O | — | Details |
| liquiritin | 551-15-5 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| liquiritin apioside | 74639-14-8 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O | — | Details |
| liriodendrin | 96038-87-8 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC | — | Details |
| lirioferine | — | — | COc3cc2CC4c1c(cc(OC)c(OC)c1c2cc3O)CCN4C | Details |
| lithospermic acid | 28831-65-4 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O | — | Details |
| lobetyolin | 129277-38-9 | C/C=C/C#CC#CC(C(/C=C/CCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O | CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O | Details |
| loganin | 18524-94-2 | C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| lolitrem B | 81771-19-9 | CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@@H]3[C@@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C | — | Details |
| longifolione A | #N/A | #N/A | #N/A | Details |
| longifolione B | #N/A | #N/A | #N/A | Details |
| longifolione C | #N/A | #N/A | #N/A | Details |
| longifolione D | #N/A | #N/A | #N/A | Details |
| longifolione E | #N/A | #N/A | #N/A | Details |
| longistylin C | 64125-60-6 | CC(=CCC1=C(C=C(C=C1OC)O)/C=C/C2=CC=CC=C2)C | CC(=CCC1=C(C=C(C=C1OC)O)C=CC2=CC=CC=C2)C | Details |
| lucidafuranocoumarin A | — | C/C(C)=C\CCC1(C)OC1COc3c2ccoc2cc4oc(=O)ccc34 | — | Details |
| lucyoside H | — | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | — | Details |
| lucyoside Q | 183294-29-3 | — | — | Details |
| lupeol acetate | 1617-68-1 | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C | — | Details |
| lupeol-3β-O-actetate | 1617-68-1 | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C | — | Details |
| lutein | 127-40-2 | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C | — | Details |
| luteolin | #N/A | — | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| luteolin | 491-70-3 | — | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | Details |
| luteolin 7-O-glucoside | 5373-11-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | Details |
| luteolin-3'-O-β-D-glucopyranoside | — | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| luteolin-3′-O-β-D-glucopyranoside | — | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| luteolin-4'-O-β-D-glucopyranoside | 6920-38-3 | O=c3cc(c2ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)c2)oc4cc(O)cc(O)c34 | — | Details |
| luteolin-4′-O-β-D-glucopyranoside | 6920-38-3 | O=c3cc(c2ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(O)c2)oc4cc(O)cc(O)c34 | — | Details |
| luteolin-6-C-α-L-arabinopyranosyl-7-O-β-D-glucopyranoside | — | O=c4cc(c1ccc(O)c(O)c1)oc5cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c45 | — | Details |
| luteolin-6-C-β-D-galactopyranosiduronic acid (1→2)-β-D-arabinopyranoside | — | O=C(O)[C@H]5O[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1c4c(O)cc3oc(c2ccc(O)c(O)c2)cc(=O)c3c4O)[C@H](O)[C@@H](O)[C@H]5O | — | Details |
| luteolin-7-O-glucoside | 5373-11-55373-11-55373-11-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| luteolin-7-O-β-D-glucopyranoside | 5373-11-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| luteolin-7-O-β-D-glucoside | 5373-11-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| luteolin-7-O-β-D-glucuronide methyl ester | — | COC(=O)[C@H]4O[C@@H](Oc3cc(O)c2c(=O)cc(c1ccc(O)c(O)c1)oc2c3)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| luteoloside | 5373-11-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| lutonarin | — | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O)O)O | — | Details |
| luvangetin | 483-92-1 | — | — | Details |
| lycopene | 502-65-8 | CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C | — | Details |
| lycopsamine | 10285-07-1 | C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O | — | Details |
| lyoniresinol | #N/A | #N/A | COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO | Details |
| lyoniside | 34425-25-7 | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O | — | Details |
| lysergic acid amide | 478-94-4 | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N | — | Details |
| lysergol | 602-85-7 | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO | — | Details |
| macrophylloside | — | COC(=O)[C@@H]1[C@@H]2OC[C@@]3(C=CC1C3[C@@H](O2)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O | — | Details |
| macrophylloside D | 179457-69-3 | CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C | CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C | Details |
| macusine B | 6792-07-0 | — | — | Details |
| madecassoside | 34540-22-2 | C[C@@H]1CC[C@@]2(CC[C@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O | — | Details |
| magnoflorine | 2141-09-5 | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C | — | Details |
| magnolin | 31008-18-1 | COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC | — | Details |
| maleic acid | 110-16-7 | C(=CC(=O)O)C(=O)O | — | Details |
| maltol | 118-71-8 | #N/A | CC1=C(C(=O)C=CO1)O | Details |
| malvidin-3,5-diglucoside | 16727-30-3 | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| malvidin-3-(6"-acetylglucoside) | 101072-66-6 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)OC)O)O)O)O)O | — | Details |
| malvidin-3-(6"-caffeoylglucoside) | — | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O)O | — | Details |
| malvidin-3-(6′′-coumarylglucoside) | — | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O | — | Details |
| malvidin-3-(6′′-coumarylglucoside)-5-glucoside | — | COc6cc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@H]5O[C@@H](COC(=O)/C=C/c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]5O)cc(OC)c6O | — | Details |
| malvidin-3-glucoside | 18470-06-9 | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| mamegakinone | 17734-93-9 | — | — | Details |
| mandelic acid | 90-64-2 | #N/A | C1=CC=C(C=C1)C(C(=O)O)O | Details |
| mangiferin | 4773-96-0 | C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| marinobufagin-3-adipoyl-L-arginine | — | C[C@]35CC[C@H]1[C@@H](CC[C@]2(O)C[C@@H](OC(=O)CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]12C)[C@]34O[C@@H]4C[C@@H]5c6ccc(=O)oc6 | — | Details |
| marinobufagin-3-suberoyl-L-arginine | — | C[C@]35CC[C@H]1[C@@H](CC[C@]2(O)C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]12C)[C@]34O[C@@H]4C[C@@H]5c6ccc(=O)oc6 | — | Details |
| marmin | 14957-38-1 | C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC[C@H](C(C)(C)O)O | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O | Details |
| maslinic acid | 4373-41-5 | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C | — | Details |
| masso lactone C-10 | 54814-64-1 | CCCCCC1CC=CC(=O)O1 | — | Details |
| masso lactone C-12 | 152398-49-7 | CCCCCCC[C@@H]1CC=CC(=O)O1 | — | Details |
| masso lactone C-13 | 152398-49-7 | CCCCCCC[C@@H]1CC=CC(=O)O1 | — | Details |
| masso lactone C-14 | — | CCCCCCCCC[C@@H]1CC=CC(=O)O1 | — | Details |
| masticadienonic acid | 66052-86-6 | CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C | Details |
| matairesinol | 580-72-3 | COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O | — | Details |
| matrine | 519-02-8 | C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1 | — | Details |
| medroxyprogesterone acetate | 71-58-9 | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C | CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C | Details |
| menadione | 58-27-5 | #N/A | CC1=CC(=O)C2=CC=CC=C2C1=O | Details |
| menthol | 1490-04-6 | — | CC1CCC(C(C1)O)C(C)C | Details |
| menthone | 14073-97-3 | C[C@@H]1CC[C@H](C(=O)C1)C(C)C | — | Details |
| meranzin | 23971-42-8 | CC1([C@@H](O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C | CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C | Details |
| meranzin hydrate | 5673-37-0 | — | CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O | Details |
| mesaconitine | 2752-64-9 | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](C[C@H]([C@@]7([C@H]5[C@H]([C@H]2C6N(C7)C)OC)COC)O)OC | — | Details |
| mesembrenol | — | COc3ccc([C@@]12C=CC(O)C[C@@H]1N(C)CC2)cc3OC | — | Details |
| mesembrenone | 468-54-2 | CN1CC[C@]2([C@@H]1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC | — | Details |
| mesembrine | 24880-43-1 | CN1CC[C@]2([C@@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC | — | Details |
| mesoporphyrin | 493-90-3 | — | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C | Details |
| methoxy-hexanoate-chromone | — | — | — | Details |
| methyl 5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoate | — | CC1(C=CC2=C(C(=C(C=C2O1)OC)CCC(=O)OC)OC)C | — | Details |
| methyl gallate | 99-24-1 | COC(=O)C1=CC(=C(C(=C1)O)O)O | COC(=O)C1=CC(=C(C(=C1)O)O)O | Details |
| methyl protodeltonin | 94992-08-2 | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O | — | Details |
| methyl rosmarinate | 99353-00-1 | COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O | — | Details |
| methyl tanshinonate | 18887-19-9 | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC[C@]4(C)C(=O)OC | — | Details |
| methylenetanshiquinone | 67656-29-5 | — | — | Details |
| methyleugenol | 93-15-2 | — | COC1=C(C=C(C=C1)CC=C)OC | Details |
| methyllycaconitine | 21019-30-7 | — | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C | Details |
| methylnigakinone | 18110-87-7 | — | COC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)OC | Details |
| methylophiopogonanone A | 74805-92-8 | CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C)O | — | Details |
| methylophiopogonanone B | 74805-91-7 | CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC=C(C=C3)OC)C)O | — | Details |
| methylswertianin | 22172-17-4 | — | COC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OC)O | Details |
| methymycin | 497-72-3 | CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O | — | Details |
| methysticin | 495-85-2 | COC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| militarine | 58139-23-4 | CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| miltirone | 27210-57-7 | — | CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O | Details |
| miquelianin | 22688-79-5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O | Details |
| mollugin | 55481-88-4 | — | CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C | Details |
| monogolicumin A | — | — | O=C(O)c2cc3ccc(O)c4oc1cc(O)c(O)cc1c(c2C(=O)O)c34 | Details |
| monotropein | 5945-50-6 | C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O | — | Details |
| morroniside | 25406-64-8 | C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC | CC1C2C(CC(O1)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC | Details |
| morusin | 62596-29-6 | — | CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C | Details |
| mussaenoside | 64421-27-8 | C[C@@]1(CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| myrianthic acid 28-O-β-
D-(2'-O-α-L-arabinopyranosyl- 3'-O-β-D-glucopyranosyl)-
glucopyranosyl ester | — | [H][C@]67CC=C4[C@@](C)(CC[C@@]5(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@@H](C)[C@@](C)(O)[C@@]45[H])[C@]6(C)CC[C@@]8([H])[C@](C)(CO)[C@H](O)[C@H](O)C[C@]78C | — | Details |
| myrianthic acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl)-
glucopyranosyl ester | — | [H][C@]56CC=C3[C@@](C)(CC[C@@]4(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@H](C)[C@@](C)(O)[C@@]34[H])[C@]5(C)CC[C@@]7([H])[C@](C)(CO)[C@H](O)[C@H](O)C[C@]67C | — | Details |
| myricetin | 529-44-2 | — | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O | Details |
| myricetin 3-O-beta-D-glucopyranoside | 19833-12-6 | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| myricetin 3′-methylether 3-O-glucoside-7-O-rhamnoside | — | COc5cc(c3oc2cc(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)cc(O)c2c(=O)c3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c5O | — | Details |
| myricetin-3-O-(6''-malonyl)-glucoside | 194093-39-5 | O=C(O)CC(=O)OC[C@H]5O[C@@H](Oc4c(c1ccc(O)c(O)c1)oc3cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c3c4=O)[C@H](O)[C@@H](O)[C@@H]5O | — | Details |
| myricetin-3-O-hexoside | 15648-86-9 | — | — | Details |
| myricetin-3-O-rutinoside | — | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O | — | Details |
| myricetin-3-O-α-L-rhamnopyranoside | 17912-87-7 | C[C@@H]4O[C@@H](Oc3c(c1cc(O)c(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| myricetin-3-O-β-D-glucopyranoside | 19833-12-6 | O=c3c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2cc(O)c(O)c(O)c2)oc4cc(O)cc(O)c34 | — | Details |
| myricitrin | 17912-87-7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O | — | Details |
| myricoside | 76076-04-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O | — | Details |
| myristic acid | 544-63-8 | #N/A | CCCCCCCCCCCCCC(=O)O | Details |
| n-butylidenephthalide | 72917-31-8 | CCC/C=C\1/C2=CC=CC=C2C(=O)O1 | — | Details |
| nairutin | 14259-46-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| naproxen (-)-menthol ester | #N/A | #N/A | #N/A | Details |
| narbomycin | 6036-25-5 | CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C | — | Details |
| narcissin | 604-80-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O | Details |
| nardoxide | — | C[C@@H]1CC(=O)C2=C1[C@H]([C@@]3(CC[C@]2(O3)C)C(C)C)O | — | Details |
| naringenin | 67604-48-2 | #N/A | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O | Details |
| naringenin-7-O-β-d-glycoside | — | [H][C@]4(CO)O[C@@]([H])(Oc3cc(O)c2C(=O)CC(c1ccc(O)cc1)Oc2c3)[C@]([H])(O)[C@@]([H])(O)[C@]4([H])O | — | Details |
| naringin | 10236-47-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | — | Details |
| narirutin | 14259-46-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| nebularine | 550-33-4 | C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | — | Details |
| neferine | 2292-16-2 | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC | — | Details |
| neo-przewaquinone A | 630057-39-5 | C/C/1=C\CCC2=C(C=CC3=C2C(=O)C(=O)C4=C3OC=C4C)C(=C)CCCC5=C1C=CC6=C5C(=O)C(=O)C7=C6OC=C7C | — | Details |
| neoandrographolide | 27215-14-1 | C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| neobavaisoflavone | 41060-15-5 | — | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C | Details |
| neochamaejasmin A | 90411-13-5 | C1=CC(=CC=C1[C@@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O | — | Details |
| neochlorogenic acid. | 906-33-2 | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| neocurdione | 108944-67-8 | C[C@H]1CC/C=C(\CC(=O)[C@H](CC1=O)C(C)C)/C | — | Details |
| neohesperidin | 13241-33-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O | Details |
| neoline | 466-26-2 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)O)COC | — | Details |
| neomangiferin | 64809-67-2 | C1=C2C(=CC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| neomenthol | 1490-04-6 | — | CC1CCC(C(C1)O)C(C)C | Details |
| neomethymycin | 497-73-4 | C[C@H]1C[C@H](C(=O)/C=C/[C@H]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)[C@@H](C)O)C)C | — | Details |
| neoponcirin | 14259-47-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O | — | Details |
| neoprzewaquinone A | 630057-39-5 | C/C/1=C\CCC2=C(C=CC3=C2C(=O)C(=O)C4=C3OC=C4C)C(=C)CCCC5=C1C=CC6=C5C(=O)C(=O)C7=C6OC=C7C | — | Details |
| neosenkirkine | 57194-70-4 | C/C=C/1\C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C | — | Details |
| nepetin | 520-11-6 | — | — | Details |
| nepitrin | 569-90-4 | COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| nerolidol | 7212-44-4 | CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C | — | Details |
| netzahualcoyene | 114020-41-6 | CC1=C2C3=CC=C4C(=C(C(=O)C=C4[C@@]3(CC[C@]2([C@@H]5C[C@](CC[C@@]5(C1)C)(C)C(=O)OC)C)C)O)C | — | Details |
| nevadensin | 152743-19-6 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O | Details |
| niazirin | 122001-32-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)O | — | Details |
| nicotiflorin | 17650-84-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O | — | Details |
| niga-ichigoside F1 | 95262-48-9 | [H][C@]45CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@H](O)[C@H](O)C[C@]56C | — | Details |
| niga-ichigoside F2 | — | [H][C@]45CC=C2[C@@](C)(CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H](C)[C@@](C)(O)[C@@]23[H])[C@]4(C)CC[C@@]6([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]56C | — | Details |
| nigakinone | 18110-86-6 | — | COC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)O | Details |
| nigelladine A | — | CC2=CC(C)(C)N=C3C[C@@]1(C)CC(=O)C(C(C)C)=CC1=C23 | — | Details |
| nigelladine B | — | CC1=CC(N=C2C1=CC3=C(C(=O)C[C@@]3(C2)C)C(C)C)(C)C | — | Details |
| nigelladine C | — | CC1=CC(N=C2C1=CC3=C(C(=O)C[C@]3(C2)C(C)C)C)(C)C | — | Details |
| nigellaquinomine | — | CC1=CC(N=C2C1=CC3=C(C(C(=O)[C@]3(C2)C)(C)C)C)(C)C | — | Details |
| nimbin | 5945-86-8 | CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C | — | Details |
| niphimycin Iß | — | — | — | Details |
| niphimycin Iα | — | C[C@H]1CC[C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/[C@H]([C@H](C(=O)O[C@@H]([C@H](/C=C/C=C/[C@H]([C@H]([C@@H](C[C@H](C[C@@H](C[C@@H]2C[C@@H]([C@H]([C@@](O2)(C[C@H]1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)[C@@H](C)C[C@@H](C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O | CHEMBL4159814 | Details |
| niphitricin A | 11078-23-2 | CC1CCC(C(C(CC(C(/C=C\C(=O)OC(C(/C=C\C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O | — | Details |
| niphitricin B | — | — | — | Details |
| no compound names given | — | — | — | Details |
| no name of compounds are given | — | — | — | Details |
| no name of compounds are given, compuond 1 | — | — | — | Details |
| no name of compounds are given, compuond 2 | — | — | — | Details |
| no name of compounds are given, compuond 3 | — | — | — | Details |
| no name of compounds are given, compuond 4 | — | — | — | Details |
| nobiletin | 478-01-3 | — | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC | Details |
| nodakenetin | 495-32-9 | CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O | — | Details |
| noniosides E-H: 2,6-di-O-(β-D-glucopyranosyl)-1-O-hexanoyl-β-D-glucopyranose | — | — | — | Details |
| nootkatone | 4674-50-4 | C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C | — | Details |
| norchelerythrine | 6900-99-8 | — | — | Details |
| nordihydrocapsaicin | 28789-35-7 | — | — | Details |
| norswertianolin | 54954-12-0 | C1=CC(=C2C(=C1O)OC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| nothofagin | 11023-94-2 | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O | Details |
| notoginsenoside Fd | 80321-63-7 | C/C(C)=C\CC[C@](C)(O[C@@H]2O[C@H](CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3CC[C@]7(C)[C@@H]3[C@H](O)C[C@@H]6[C@@]5(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]5CC[C@]67C | — | Details |
| notoginsenoside Fe | 88105-29-7 | C/C(C)=C/CC[C@](C)(O[C@@H]2O[C@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3CC[C@]7(C)[C@@H]3[C@H](O)C[C@@H]6[C@@]5(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]5CC[C@]67C | — | Details |
| notoginsenoside R | 80418-24-2 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C | — | Details |
| notoginsenoside R 1 | 80418-24-2 | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C | — | Details |
| notoptol | 88206-49-9 | C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C/C=C/C(C)(C)O | — | Details |
| nuciferine | 475-83-2 | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC | Details |
| nudol | 86630-46-8 | COC1=C(C=C2C=CC3=C(C2=C1OC)C=CC(=C3)O)O | — | Details |
| obaberine | 1263-80-5 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC | — | Details |
| obtusifolin | 477-85-0 | #N/A | CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O | Details |
| obtusin | 70588-05-5 | #N/A | CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O | Details |
| octanona-O-galloylglucose | — | — | — | Details |
| odorobioside | 560-70-3 | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | — | Details |
| oferin | 58561-95-8 | CC1=C2[C@H]([C@H]3[C@@H]([C@H](C1)OC(=O)C(=C)C)[C@](C(=O)O3)(C)OC(=O)C(C)C)C(=CC2=O)C | — | Details |
| officinalin | #N/A | #N/A | #N/A | Details |
| officinalin isobutyrate | 61467-56-9 | #N/A | CC(C)C(=O)OC1=C(C=C2C=CC(=O)OC2=C1)C(=O)OC | Details |
| oleanolic acid | 508-02-1 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O | — | Details |
| oleanolic acid hexoside | — | — | — | Details |
| oleanolic acid hexoside adduct [M+Cl]− | — | — | — | Details |
| oleanolic acid-3-O-ß-D-glucopyranosyl-(1-2)-α-L-arabinopyranoside | 60213-69-6 | CC7(C)CC[C@]6(C(=O)O)CC[C@]5(C)C(=CC[C@@H]4[C@@]3(C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@](C)(C)[C@@H]3CC[C@]45C)[C@@H]6C7 | — | Details |
| oleanolic acid-3-O-ß-D-glucuropyranoside | 26020-14-4 | CC6(C)CC[C@]5(C(=O)O)CC[C@]4(C)C(=CC[C@@H]3[C@@]2(C)CC[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@](C)(C)[C@@H]2CC[C@]34C)[C@@H]5C6 | — | Details |
| oleanonic acid & moronic acid | 17990-42-0&6713-27-5 | C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C & C[C@@]12CC[C@]3(CCC(C=C3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)(C)C)C(=O)O | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C & CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)C | Details |
| oleic acid | 112-80-1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | CCCCCCCCC=CCCCCCCCC(=O)O | Details |
| oleocanthal (mixture of isomers) | 289030-99-5 | #N/A | CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O | Details |
| oleuropein | 32619-42-4 | CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O | — | Details |
| olgin | 41989-32-6 | [H][C@@]13OC(=O)[C@@](C)(OC(C)=O)[C@]1([H])C(OC(=O)C(=C)C)=CC(C)=C2C(=O)C=C(C)[C@]23[H] | — | Details |
| olgoferin | 41989-31-5 | [H][C@@]13OC(=O)[C@@](C)(OC(=O)C(=C)C)[C@]1([H])C(OC(=O)C(=C)C)=CC(C)=C2C(=O)C=C(C)[C@]23[H] | — | Details |
| olivetol | 500-66-3 | — | CCCCCC1=CC(=CC(=C1)O)O | Details |
| ombelliferon | 93-35-6 | — | C1=CC(=CC2=C1C=CC(=O)O2)O | Details |
| ondansetron isomer 1 | 99614-02-5 | — | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C | Details |
| ondansetron isomer 2 | 99614-02-5 | — | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C | Details |
| ononin | 486-62-4 | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O | Details |
| ophiopogonanone A | 75239-63-3 | — | CC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC4=C(C=C3)OCO4)O | Details |
| ophiopogonanone E | 588706-66-5 | — | CC1=C(C2=C(C(=C1O)OC)OCC(C2=O)CC3=C(C=C(C=C3)OC)O)O | Details |
| opuntisine A | — | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N5CC[C@@H]4Oc2ccc(cc2)[C@@H](O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]45 | — | Details |
| opuntisine B | — | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N5CC[C@@H]4Oc2ccc(cc2)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]45 | — | Details |
| oraposide | 61276-16-2 | CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O | — | Details |
| oraposide | 61276-16-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3[C@H](OCC(O3)C4=CC(=C(C=C4)O)O)O[C@@H]([C@H]2OC(=O)/C=C/C5=CC(=C(C=C5)O)O)CO)O)O)O | CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)O)CO)O)O)O | Details |
| orchinol | 41060-20-2 | #N/A | COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)OC | Details |
| oridonin | 28957-04-2 | CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C | — | Details |
| orientin | 28608-75-5 | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O | Details |
| orotinin | — | — | — | Details |
| orotinin-5-methyl ether | — | — | — | Details |
| oroxylin A | 480-11-5 | #N/A | COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O | Details |
| oroxylin A-7-O-glucuronide | 36948-76-2 | COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O | — | Details |
| oroxylin B | — | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O | — | Details |
| orsellinic acid | 480-64-8 | #N/A | CC1=CC(=CC(=C1C(=O)O)O)O | Details |
| ostruthin | 148-83-4 | CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C | — | Details |
| otosenine | 16958-29-5 | C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C | — | Details |
| oubatchensine | — | — | — | Details |
| oxymatrine | 16837-52-8 | C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-] | — | Details |
| oxypeucedanin | 737-52-0 | — | — | Details |
| oxypeucedanin hydrate | 2643-85-8 | CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O | — | Details |
| oxysophocarpine | 26904-64-3 | C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2[N@@+](C1)(CCC4)[O-] | — | Details |
| oxytetracycline | 79-57-2 | C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O | — | Details |
| p-anisaldehyde | 123-11-5 | — | COC1=CC=C(C=C1)C=O | Details |
| p-coumaric acid | 501-98-4 | C1=CC(=CC=C1/C=C/C(=O)O)O | C1=CC(=CC=C1C=CC(=O)O)O | Details |
| p-cymene | 99-87-6 | — | CC1=CC=C(C=C1)C(C)C | Details |
| p-hydroxybenzoic acid | 99-96-7 | — | — | Details |
| p-hydroxylcinnamic acid | 501-98-4 | C1=CC(=CC=C1/C=C/C(=O)O)O | — | Details |
| p-hydroxyphenacyl-β-D-glucopyranoside | — | C1=CC(=CC=C1C(=O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | — | Details |
| p-menta-1,4-dien-7-al | 22580-90-1 | — | CC(C)C1=CCC(=CC1)C=O | Details |
| pabulenol | 33889-70-2 | CC(=C)[C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O | — | Details |
| pachymic acid | 29070-92-6 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O | CC(C)C(=C)CCC(C1C(CC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O | Details |
| paclitaxel | 33069-62-4 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C | — | Details |
| padmatin | 80453-44-7 | COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O | — | Details |
| paeoniflorin | 23180-57-6 | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O | Details |
| paeonol | 552-41-0 | CC(=O)C1=C(C=C(C=C1)OC)O | — | Details |
| paepalantine | 133740-20-2 | — | — | Details |
| paepalantine-9-O-α-rhamnopyranosyl-(1-6)-β-D-glucopyranoside | — | [H][C@@]5(OC[C@H]4O[C@@H](Oc2cc(OC)cc3c(OC)c1cc(C)oc(=O)c1c(O)c23)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O | — | Details |
| paepalantine-9-O-β-D-allopyranosyl-(1-6)-O-β-D-glucopyranoside | — | COc5cc(O[C@H]2O[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H]2O)c4c(O)c3c(=O)oc(C)cc3c(OC)c4c5 | — | Details |
| paepalantine-9-O-β-D-glucopyranoside | — | COc4cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c3c(O)c2c(=O)oc(C)cc2c(OC)c3c4 | — | Details |
| pallidol | 105037-88-5 | C1=CC(=CC=C1[C@H]2[C@H]3[C@H]([C@@H](C4=C3C=C(C=C4O)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)O | — | Details |
| palmarumycin C13 | 155866-40-3 | C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@@H](C67C4(O6)C(=O)C=C[C@@H]7O)O)OC3=CC=C2 | — | Details |
| palmarumycin C15 | — | C1=CC2=C3C(=C1)OC4([C@@H]5[C@@H](O5)[C@H]([C@]67[C@]4(O6)C(C=C[C@H]7O)O)O)OC3=CC=C2 | — | Details |
| palmarumycin C16 | — | C1CC([C@]23[C@]([C@@H]1O)(O2)[C@@H]([C@H]4[C@@H](C35OC6=CC=CC7=C6C(=CC=C7)O5)O4)O)O | — | Details |
| palmatine | 3486-67-7 | — | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC | Details |
| palmitic acid | 57-10-3 | CCCCCCCCCCCCCCCC(=O)O | CCCCCCCCCCCCCCCC(=O)O | Details |
| palmitic acids | 57-10-3 | CCCCCCCCCCCCCCCC(=O)O | — | Details |
| palmitic stearic acids | 67701-03-5 | CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O | — | Details |
| palmitoleic acid | 373-49-9 | CCCCCC/C=C\CCCCCCCC(=O)O | CCCCCCC=CCCCCCCCC(=O)O | Details |
| panarine | — | C/C=C\1/C[N+]2([C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)C(=O)[O-])C | — | Details |
| parishin A | 62499-28-9 | C1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C(=O)OCC4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | C1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)(C(=O)OCC4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O | Details |
| parishin B | 174972-79-3 | C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)OCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O | Details |
| parishin C | 174972-80-6 | C1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C(=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | C1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)(C(=O)O)O)OC4C(C(C(C(O4)CO)O)O)O | Details |
| parishin E | 952068-57-4 | C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | C1=CC(=CC=C1COC(=O)CC(CC(=O)O)(C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O | Details |
| paristerone | #N/A | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O | Details |
| parthenocissin A | 212513-35-4 | C1=CC(=CC=C1/C=C\2/[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| parthenolide | 20554-84-1 | C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C | — | Details |
| parvifloside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| parvisoflavone A | 50277-01-5 | — | — | Details |
| parvisoflavone B | — | — | — | Details |
| patchoulol | 5986-55-0 | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O | — | Details |
| patuletin-3-O-glucoside | — | [H][C@@]4(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)c(OC)c(O)c2c3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O | — | Details |
| pectolinarigenin | 520-12-7 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O | Details |
| pedunculagin | 7045-42-3 | C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O | — | Details |
| pedunculoside | 42719-32-4 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | — | Details |
| pelargonidin-3-(2'''-acetylrutinoside) | — | CC(=O)O[C@H]5[C@H](OC[C@H]4O[C@@H](Oc2cc1c(O)cc(=O)cc1oc2c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H](C)[C@H](O)[C@H]5O | — | Details |
| pelargonidin-3-O-glucoside | 18466-51-8 | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O | Details |
| pelargonidin-3-glucoside | 18466-51-8 | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O.[Cl-] | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O.[Cl-] | Details |
| pelargonidin-3-glucoside | 47684-27-5 | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| pelargonidin-3-rutincoside | #N/A | #N/A | #N/A | Details |
| pelargonidin-3-rutinoside | #N/A | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC=C(C=C5)O)O)O)O)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC=C(C=C5)O)O)O)O)O)O)O)O)O | Details |
| pelargonidin-3-rutinoside | 18466-51-8 | C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Oc2cc1c(O)cc(=O)cc1oc2c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| pellitorine | 18836-52-7 | CCCCC/C=C/C=C/C(=O)NCC(C)C | — | Details |
| penstemonoside | 81203-56-7 | C[C@H]1C[C@@H]([C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | CC1CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O | Details |
| penta-O-galloylglucose | — | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O | — | Details |
| pentachlorophenol | 87-86-5 | — | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O | Details |
| pentalenolactone | 31501-48-1 | C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O | — | Details |
| peonidin-3,5-diglucoside | — | COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O[C@H]5C(C([C@@H](C(O5)CO)O)O)O)O | — | Details |
| peonidin-3-(6''-malonylglucoside) | — | COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4C(C([C@@H](C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O | — | Details |
| peonidin-3-(6′′,6'''-dicaffeoylsophoroside)-5-glucoside | — | COc8ccc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)/C=C/c4cc(O)cc(O)c4)[C@@H](O)[C@H](O)[C@H]5O[C@H]7O[C@@H](COC(=O)/C=C/c6cc(O)cc(O)c6)[C@H](O)[C@@H](O)[C@@H]7O)cc8O | — | Details |
| peonidin-3-(6′′-caffeoyl-6′′′-feruoylsophoroside)-5-glucoside | — | COc8cc(O)cc(/C=C/C(=O)OC[C@@H]7O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/c1cc(O)cc(O)c1)O[C@H]2Oc5cc4c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)cc4[o+]c5c6ccc(OC)c(O)c6)[C@@H](O)[C@H](O)[C@H]7O)c8 | — | Details |
| peonidin-3-(6′′-caffeoyl-6′′′-p-hydroxybenzoyl-sophoroside)-5-glucoside | — | COc8ccc(c3[o+]c2cc(O)cc(OC1OC(CO)C(O)C(O)C1O)c2cc3OC5OC(COC(=O)/C=C/c4ccc(O)c(O)c4)C(O)C(O)C5OC7OC(COC(=O)c6ccc(O)cc6)C(O)C(O)C7O)cc8O | — | Details |
| peonidin-3-(6′′-caffeoylsophoroside)-5-glucoside | — | COc7ccc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)/C=C/c4cc(O)cc(O)c4)[C@@H](O)[C@H](O)[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)cc7O | — | Details |
| peonidin-3-(6′′-coumaroylglucoside)-5-glucoside | — | COc6ccc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]5O)cc6O | — | Details |
| peonidin-3-O-(2-O-(6-O-(E)-caffeoyl-β-D-glucopyranosyl)-6-O-(E)-caffeoyl-β-D-glucopyranoside)-5-O-β-D-glucopyranoside | — | COc8cc(c3[o+]c2cc(O)cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]5O[C@H]7O[C@@H](COC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)[C@@H](O)[C@@H]7O)ccc8O | — | Details |
| peonidin-3-O-(2-O-(6-O-(E)-feruloyl-β-D-glucopyranosyl)-6-O-(E)-caffeoyl-β-D-glucopyranoside)-5-O-β-D-glucopyranoside | — | COc8cc(/C=C/C(=O)OC[C@@H]7O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)O[C@H]2Oc5cc4c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc4[o+]c5c6ccc(O)c(OC)c6)[C@@H](O)[C@H](O)[C@H]7O)ccc8O | — | Details |
| peonidin-3-O-(6-O-(E)-caffeoyl-2-O-β-D-glucopyranosyl-β-D-glucopyranoside)-5-O-β-D-glucoside | — | COc7cc(c3[o+]c2cc(O)cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)ccc7O | — | Details |
| peonidin-3-feruoylsophoroside-5-glucoside | — | COc7cc(O)cc(/C=C/C(=O)OC[C@H]6O[C@@H](Oc3cc2c(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)cc(O)cc2[o+]c3c4ccc(OC)c(O)c4)[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H]6O)c7 | — | Details |
| peonidin-3-glucoside | 68795-37-9 | COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | — | Details |
| peonidin-3-p-hydroxybenzoylsophoroside-5-glucoside | — | COc7ccc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@@H]5O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]5O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)cc7O | — | Details |
| peonidin-3-sophoroside-5-glucoside | — | COc6ccc(c3[o+]c2cc(O)cc(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2cc3O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc6O | — | Details |
| peritassines A | — | CC(=O)OC[C@@]24[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(=O)C(C)C(C)c1ncccc1C(=O)OC[C@]3(C)O[C@@]2([C@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@H]4OC(C)=O)[C@@]5(C)O | — | Details |
| peroxyferolide | 61228-73-7 | CC(=O)O[C@@H]1CC(=C)[C@@H](CC[C@@]2([C@H](O2)[C@@H]3[C@@H]1C(=C)C(=O)O3)C)OO | — | Details |
| pervilleine G | 876313-92-7 | CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC | — | Details |
| pervilleine H | 876313-93-8 | CN1[C@@H]2CC(C[C@@H]1[C@@H]([C@@H]2O)O)OC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC | — | Details |
| petunidin-3-(6"-acetylglucoside) | — | CC(=O)OCC1[C@H](C(C([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)O)O)O)O)O)O | — | Details |
| peucedanin | 133-26-6 | #N/A | CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC | Details |
| peucedanocoumarin I | 130464-55-0 | CCC(C)C(=O)O[C@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C | — | Details |
| peucenin | 578-72-3 | — | — | Details |
| phebalosin | 6545-99-9 | CC(=C)[C@@H]1[C@H](O1)C2=C(C=CC3=C2OC(=O)C=C3)OC | CC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC | Details |
| phellopterin | 2543-94-4 | — | CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C | Details |
| pheophorbide methyl ester | 5594-30-9 | CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C | — | Details |
| phillygenin | 487-39-8 | COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)OC | — | Details |
| phillyrin | 487-41-2 | COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OC | — | Details |
| phloretin | 60-82-2 | #N/A | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O | Details |
| phloridzin | 60-81-1 | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | — | Details |
| phlorizin | 60-81-1 | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O | Details |
| phloyoside II | 158931-48-7 | C[C@]1([C@H]2[C@@H](OC=C([C@]2([C@@H]([C@H]1Cl)O)O)C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | CC1(C2C(OC=C(C2(C(C1Cl)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O | Details |
| phorbol | 17673-25-5 | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O | — | Details |
| phosphatidylcholine | — | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC | — | Details |
| phosphocholine-containing glycoglycerolipid GGPL-1 | 158227-74-8 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)([O-])OCC[N+](C)(C)C)O)O)O)OC(=O)CCCCCCCCCCCCCCC | — | Details |
| phosphocholine-containing glycoglycerolipid GGPL-III | — | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)OCC(COP(=O)(O)OCC[N+](C)(C)C)N)O)O)O)OC(=O)CCCCCCCCCCCCCCC | — | Details |
| phyllanthostatin | 119767-19-0 | CC(=O)OCC1=C(C(=C2C=C(C(=CC2=C1)OC)OC)C3=CC4=C(C=C3)OCO4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| physcion | 521-61-9 | — | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC | Details |
| physcion-8-O-glucoside | #N/A | #N/A | #N/A | Details |
| physcionin | 23451-01-6 | COc4cc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c3c(=O)c2c(O)cc(C)cc2c(=O)c3c4 | — | Details |
| phytol | 150-86-7 | C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C | CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C | Details |
| piceatannol | 10083-24-6 | C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O | — | Details |
| piceatannol 4-glucoside | 116181-54-5 | C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| piceatannol-4'-O-β-D-(6′′-O-gallate)-glucoside | 64898-03-9 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O | — | Details |
| piceid | 27208-80-6 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | — | Details |
| picein | 27208-80-6 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | — | Details |
| picraline | 2671-32-1 | CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC | — | Details |
| picraline | 2671-32-1 | C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(COC(=O)C)C(=O)OC | — | Details |
| picratidine | — | C/C=C/1\CN2[C@H]3C[C@@H]1[C@]([C@@]45[C@@]3(N(C6=CC=CC=C64)C)O[C@H]2C5)(COC(=O)C)C(=O)OC | — | Details |
| picrocrocin | 138-55-6 | CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O | — | Details |
| picromycin | 19721-56-3 | CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O | — | Details |
| picroside I | 27409-30-9 | C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O | — | Details |
| picroside II | 39012-20-9 | COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O | — | Details |
| picroside III | 64461-95-6 | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O)O | — | Details |
| pimpinellin | 131-12-4 | — | COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC | Details |
| pinocembrin | 480-39-7 | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 | — | Details |
| pinoresinol | 487-36-5 | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)O | Details |
| pinoresinol diglucoside | 63902-38-5 | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | — | Details |
| pinostrobin | 480-37-5 | — | COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O | Details |
| pinostrobin chalcone | 18956-15-5 | COC1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)O | COC1=CC(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O | Details |
| pinotin A | — | COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC(=C3)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | — | Details |
| piperanine | 23512-46-1 | C1CCN(CC1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3 | C1CCN(CC1)C(=O)C=CCCC2=CC3=C(C=C2)OCO3 | Details |
| pipercyclobutanamides A | — | [H][C@@]6(/C=C/c2ccc1OCOc1c2)[C@@]([H])(/C=C\C(=O)N3CCCCC3)[C@]([H])(c5ccc4OCOc4c5)[C@@]6([H])C(=O)N7CCCCC7 | — | Details |
| piperin | 94-62-2 | C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| piperine | 94-62-2 | C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 | C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 | Details |
| piperlonguminine | 5950-12-08T22:00:00.000Z | CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| pipernonaline | 88660-10-0 | C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| piperolein B
piperoleine B | 30505-89-6 | C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3 | — | Details |
| piperyline | 25924-78-1 | C1CCN(C1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 | C1CCN(C1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 | Details |
| plantainoside B | 136083-85-7 | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O | Details |
| plantainoside D | 147331-98-4 | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | Details |
| plantamajoside | 104777-68-6 | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | — | Details |
| plantamajoside | 104777-68-6 | C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | Details |
| platetyolin A | #N/A | #N/A | #N/A | Details |
| platetyolin B | #N/A | #N/A | #N/A | Details |
| platycodin D | 58479-68-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| platycodin D3 | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| platycoside E | 237068-41-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| platyphylloside | 90803-80-8 | C1=CC(=CC=C1CC[C@@H](CC(=O)CCC2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O | Details |
| platypodiol | — | CC1=CCCC2[C@]1([C@@H](C[C@H]([C@]2(C)CC/C(=C/CO)/C)CO)O)C | — | Details |
| plebeiolide C | — | C[C@H]1[C@H](C[C@H]([C@@]2([C@@H]1CC3=C(C(=O)OC3=C2)C)C)O)OC(=O)C | — | Details |
| plumbagic acid | — | C[C@H](CC(=O)O)C(=O)C1=C(C(=CC=C1)O)O | — | Details |
| plumbagin | 481-42-5 | #N/A | CC1=CC(=O)C2=C(C1=O)C=CC=C2O | Details |
| podocarpusflavone A | 22136-74-9 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O | Details |
| podophyllotoxin | 518-28-5 | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O | Details |
| podoverine A | 107882-43-9 | — | CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C | Details |
| podoverine D | #N/A | COc7c(c5ccc(Oc3cc(O)cc4O[C@@]2(c1ccc(O)cc1)O[C@@]2(O)C(=O)c34)c(O)c5C/C=C(C)\C)oc6cc(O)cc(O)c6c7=O | #N/A | Details |
| podoverine E | #N/A | — | #N/A | Details |
| podoverine F | #N/A | O=C6c4c(Oc3ccc(c2oc1cc(O)cc(O)c1c(=O)c2O)cc3O)cc(O)cc4O[C@@]7(c5ccc(O)cc5)O[C@@]67O | #N/A | Details |
| podoverine G | #N/A | COc7c(c1ccc(O)c(O)c1C/C=C(C)/C)oc6cc(O)cc(O[C@@]25O[C@]2(c3ccc(O)c(O)c3)Oc4cc(O)ccc4C5=O)c6c7=O | #N/A | Details |
| podoverine H | #N/A | C=C(C)CCc6c(O)cc(O[C@@]14O[C@]1(c2ccc(O)cc2)Oc3cc(O)ccc3C4=O)c7c(=O)c(OC)c(c5ccc(O)c(O)c5C/C=C(C)\C)oc67 | #N/A | Details |
| pogostone | 23800-56-8 | CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O | — | Details |
| polyalthic acid | 1235-76-3 | C[C@@]12CCC[C@]([C@H]1CCC(=C)[C@H]2CCC3=COC=C3)(C)C(=O)O | — | Details |
| polygalacin D | 66663-91-0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O | — | Details |
| polygonimitin B | — | CC1=CC2=C(C=C1C)OC3=C(C2=O)C(=CC(=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| polyphyllin I | 50773-41-6 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| polyphyllin VII | 76296-75-8 | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)C)C)O[C@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC | — | Details |
| polyporenic acid C | 465-18-9 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O | Details |
| poncirin | 14941-08-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O | Details |
| ponicidin | 52617-37-5 | CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@@]4([C@]56[C@H]2CCC([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C | — | Details |
| populin | 99-17-2 | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3CO)O)O)O | — | Details |
| poricoic acid A | 137551-38-3 | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O | Details |
| poricoic acid B | 137551-39-4 | CC(=CCCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C | CC(=CCCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C | Details |
| praecoxin A methyl ester | — | COC(=O)C1=CC(=C(C(=C1OC2=C(C(=C3C(=C2)C(=O)OC[C@@H]4[C@H]([C@H]5[C@H](C(O4)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O5)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C83)O)O)O)O)O)O)O)O | — | Details |
| praecoxin D | — | C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C8=C(C=C7C(=O)O1)OC9=C(C(=C(C=C9C(=O)O8)O)O)O)O)O)O)O | — | Details |
| praeruptorin E | 78478-28-1 | C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C | — | Details |
| pratensein | 2284-31-3 | #N/A | COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O | Details |
| pratensein-7-O-β-D-glucoside | 36191-03-4 | COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| predentigenin E 3-O-ß-D-glucuronide | — | [H][C@@]12C[C@@](C)(CO)CC[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@@]6([H])[C@@]3(C)CC[C@@]5([H])C(C)(C)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]56C | — | Details |
| predentigenin E 3-O-β-D-(2'-O-β-D-galactopyranosyl) glucuronide methyl ester | — | [H][C@@]12C[C@@](C)(CO)CC[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@@]7([H])[C@@]3(C)CC[C@@]6([H])C(C)(C)[C@@H](O[C@@H]4O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]67C | — | Details |
| pregomisin | 66280-26-0 | C[C@H](CC1=CC(=C(C(=C1)OC)OC)O)[C@@H](C)CC2=CC(=C(C(=C2)OC)OC)O | CC(CC1=CC(=C(C(=C1)OC)OC)O)C(C)CC2=CC(=C(C(=C2)OC)OC)O | Details |
| premnacorymboside A | — | CC(=O)O[C@@H]5[C@@H](O)[C@H](C)O[C@H](O[C@@H]3C2C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2[C@@]4(CO)O[C@H]34)[C@@H]5OC(=O)/C=C/c6ccc(O)cc6 | — | Details |
| premnacorymboside B | — | C[C@@H]6O[C@H](O[C@@H]3C2C=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2[C@@]4(CO)O[C@H]34)[C@H](O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H]6O | — | Details |
| prenyletin | 15870-91-4 | — | — | Details |
| prenylflavonoids | — | — | — | Details |
| prim-O-glucosyl-cinmifugin | 80681-45-4 | CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| prim-O-glucosylcimifugin | 80681-45-4 | CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| primulagenin A 3-O-β-D-(2'-O-β-D-galactopyranosyl) glucuronide | — | [H][C@@]12CC(C)(C)CC[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@@]6([H])[C@@]3(C)CC[C@@]7([H])C(C)(C)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]67C | — | Details |
| primulagenin A 3-O-β-D-(2'-O-β-D-galactopyranosyl) glucuronide methyl ester | — | [H][C@@]12CC(C)(C)CC[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@@]7([H])[C@@]3(C)CC[C@@]6([H])C(C)(C)[C@@H](O[C@@H]4O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]67C | — | Details |
| primulagenin A 3-O-β-D-(2'-O-β-D-galactopyranosyl,-3'-O-acetyl-4'-O-α-L-arabinofuranosyl) glucopyranoside | — | [H][C@@]12CC(C)(C)CC[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@@]8([H])[C@@]3(C)CC[C@@]7([H])C(C)(C)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](OC(C)=O)[C@H]5O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]78C | — | Details |
| pristimerin | 1258-84-0 | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O | — | Details |
| procyanidin B2 | 29106-49-8 | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O | — | Details |
| procyanidin C1 | 37064-30-5 | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O | — | Details |
| procyanidin D1 | 86631-38-1 | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@@H]7[C@H]([C@H](OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O | — | Details |
| procyanidin oligomers (n=0-13) | — | — | — | Details |
| progesterone | 57-83-0 | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C | Details |
| pronuciferine | 2128-60-1 | CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC | Details |
| propionylshikonin | 162283-70-7 | CCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O | CCC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O | Details |
| prosapogenin A of deltonin | 55659-75-1 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| prosapogenin A of dioscin | 19057-60-4 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 | — | Details |
| prosapogenin A of diosgenin-3-O-[α-L-rhamnopyranosy(1→2)]-[β-D-glucopyranosyl(1→3)]-β-D-glucopyranosyl(1→4)]-β-D-glucopyranoside | 91653-50-8 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1 | — | Details |
| protocatechualdehyde | 139-85-5 | C1=CC(=C(C=C1C=O)O)O | C1=CC(=C(C=C1C=O)O)O | Details |
| protocatechuic acid | 99-50-3 | C1=CC(=C(C=C1C(=O)O)O)O | — | Details |
| protopine | 130-86-9 | — | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 | Details |
| protoporphyrin | 553-12-8 | — | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C | Details |
| prunetin | 552-59-0 | — | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O | Details |
| przewaquinone A | 76843-23-7 | — | — | Details |
| pseudoakuammigine | 2447-70-3 | C/C=C/1\CN2CCC34C5=CC=CC=C5N(C36C2CC1C4(CO6)C(=O)OC)C | — | Details |
| pseudocolumbamine | 64191-04-4 | — | COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)O | Details |
| pseudohypericin | 55954-61-5 | #N/A | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)CO)O)O)O | Details |
| pseudolaric acid A | 82508-32-5 | CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O | — | Details |
| pseudolaric acid A O-β-D-glucopyranosid | 98891-44-2 | CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| pseudolaric acid B | 82508-31-4 | C/C(=C\C=C\[C@@]1([C@@H]2CC[C@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O | — | Details |
| pseudolaric acid B O-β-D-glucopyranosid | 98891-41-9 | C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| pseudotaraxasterol-3β-O-actetate | — | C=C5C4C3CCC2[C@@]1(C)CCC(OC(C)=O)[C@](C)(C)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C)CC[C@@]5(C)O | — | Details |
| psoralen | 66-97-7 | — | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 | Details |
| psoralidin | 18642-23-4 | — | CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C | Details |
| ptaerobliquol | — | CC1(C2CCC3(C2C1C4=C(O3)C=C(C5=C4OC(=CC5=O)CO)O)C)C | — | Details |
| puerarin | 3681-99-0 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O | Details |
| pulchellin C | 22850-59-5 | C[C@]12C[C@H]([C@@H](C(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)O)O | — | Details |
| pulegone | 89-82-7 | C[C@@H]1CCC(=C(C)C)C(=O)C1 | — | Details |
| punicalagin (α isomer) | 65995-63-3 | C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O | — | Details |
| punicalagin (β isomer) | 65995-63-3 | C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O | — | Details |
| punicalin | 65995-64-4 | — | C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O | Details |
| purpureaglycoside | — | [H][C@H]8CC7C6CCC5CC(O[C@H]4C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](OC2C[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C)O2)[C@@H](C)O3)[C@@H](C)O4)CC[C@]5(C)C6C[C@@H]([H])[C@]7(C)[C@H]8C9=CC(=O)OC9 | — | Details |
| pyrethrin I | 121-21-1 | CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C | Details |
| pyrethrin II | 121-29-9 | CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C | Details |
| qianhucoumarin D | — | CC(=O)O[C@H]3c1c(ccc2ccc(=O)oc12)OC(C)(C)[C@H]3OC(C)=O | — | Details |
| qianhucoumarin J | — | C/C=C(C)\C(=O)O[C@H]3[C@@H](OC(=O)CC)c1c(ccc2ccc(=O)oc12)OC3(C)C | — | Details |
| quadrangularin A | 252557-25-8 | C1=CC(=CC=C1/C=C/2\[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| quadranoside IV | — | [H][C@]5(C)[C@H](C)CC[C@]6(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(C)C(=CC[C@@]3([H])[C@@]2(C)CC[C@@]4([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]34C)[C@]56[H] | — | Details |
| quercetagetin-7-O-β-glucoside | 548-75-4 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O | — | Details |
| quercetin | #N/A | #N/A | #N/A | Details |
| quercetin | 117-39-5 | — | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | Details |
| quercetin 3-O-(6"-O-galloyl)-β-D-galactopyranoside | 53171-28-1 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O | — | Details |
| quercetin 3-O-(6'''-p-coumaroylglucosyl-ß-1,4-rhamnoside) | 113447-39-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O | — | Details |
| quercetin 3-O-(6′′-α-L-rhamnopyranosyl-4′′′-α-L-rhamnopyranosyl)-β-D-glucopyranoside | — | C[C@@H]6O[C@@H](O[C@H]5[C@H](C)O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@H]6O | — | Details |
| quercetin 3-O-[α-rhamnosyl-(1-2)-α-rhamnosyl-(1-6)]-ß-glucoside | — | C[C@@H]6O[C@@H](O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1OC[C@H]5O[C@@H](Oc4c(c2ccc(O)c(O)c2)oc3cc(O)cc(O)c3c4=O)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H](O)[C@H]6O | — | Details |
| quercetin 3-O-galactoside-7-O-rhamnoside | 38784-81-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| quercetin 3-O-glucoside-7-O-rhamnoside | 18016-58-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O | — | Details |
| quercetin 3-O-robinobioside-7-O-rhamnoside | — | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5C([C@H]([C@H](C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O | — | Details |
| quercetin 3-O-rutinoside | 153-18-4 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| quercetin 3-O-rutinoside-7-O-rhamnoside | — | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5C([C@H]([C@H](C(O5)C)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O | — | Details |
| quercetin 3-O-α-rhamnoside | — | C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin 3-O-β-D-galactopyranoside | 482-36-0 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| quercetin 3-β-O-D-glucoside | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | Details |
| quercetin hexoside | — | — | — | Details |
| quercetin hexoside adduct [M+Cl]− | — | — | — | Details |
| quercetin hexoside adduct [M+NO3]− | — | — | — | Details |
| quercetin hexoside derivative | — | — | — | Details |
| quercetin-3-O-(6''-O-galloyl)-glucoside | — | [H][C@@]5(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]5O | — | Details |
| quercetin-3-O-(6''-O-malonyl)-β-D-glucoside | — | [H][C@@]4(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O | — | Details |
| quercetin-3-O-L-rhamnoside | 522-12-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin-3-O-[2′′-O-(6′′′-O-E-feruloyl)-β-D-glucopyranosyl]-β-D-galactopyranoside | — | [H][C@]6(COC(=O)/C=C/c1ccc(O)c(O)c1)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]2([H])Oc5c(c3ccc(O)c(O)c3)oc4cc(O)cc(O)c4c5=O)[C@H](O)[C@@H](O)[C@@H]6O | — | Details |
| quercetin-3-O-[2′′-O-(6′′′-O-E-feruloyl)-β-D-glucopyranosyl]-β-D-glucopyranoside | — | [H][C@]6(COC(=O)/C=C/c1ccc(O)c(O)c1)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2([H])Oc5c(c3ccc(O)c(O)c3)oc4cc(O)cc(O)c4c5=O)[C@H](O)[C@@H](O)[C@@H]6O | — | Details |
| quercetin-3-O-[2′′-O-(6′′′-O-E-sinapoyl)-β-D-glucopyranosyl]-β-D-glucopyranoside | — | [H][C@]6(COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2([H])Oc5c(c3ccc(O)c(O)c3)oc4cc(O)cc(O)c4c5=O)[C@H](O)[C@@H](O)[C@@H]6O | — | Details |
| quercetin-3-O-galactoside | 482-36-0 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-hexoside | 482-35-9 | — | — | Details |
| quercetin-3-O-neohesperidoside | 117611-67-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-rhamnoglucoside | — | [H][C@@]5(C)O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])Oc4c(c2ccc(O)c(O)c2)oc3cc(O)cc(O)c3c4=O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| quercetin-3-O-rhamnopyranoside | 522-12-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin-3-O-rhamnoside-7-O-(6-feruloylgluco-(1–3)-rhamnoside) | — | [H][C@@]7(Oc4cc(O)c3c(=O)c(O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)c(c2ccc(O)c(O)c2)oc3c4)O[C@@H](C)[C@H](O)[C@@H](O[C@]6([H])O[C@H](COC(=O)/C=C/c5ccc(O)c(OC)c5)[C@@H](O)[C@H](O)[C@H]6O)[C@H]7O | — | Details |
| quercetin-3-O-robinobioside | #N/A | #N/A | #N/A | Details |
| quercetin-3-O-rutinoside | 153-18-4 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| quercetin-3-O-sambubioside | 83048-35-5 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-sophoroside | 18609-17-1 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-ß-D-glucoside | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-α-L-arabinoside | — | [H][C@@]4(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)OC[C@H](O)[C@H](O)[C@H]4O | — | Details |
| quercetin-3-O-α-L-rhamnopyranoside | 522-12-3 | [H][C@@]4(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O | — | Details |
| quercetin-3-O-β-D-apiofuranosyl-(1→2)-β-D- galactoside | — | [H][C@@]5(O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc4c(c2ccc(O)c(O)c2)oc3cc(O)cc(O)c3c4=O)OC[C@](O)(CO)[C@H]5O | — | Details |
| quercetin-3-O-β-D-arabinfuranoside | — | [H][C@@]4(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)O[C@H](CO)[C@@H](O)[C@@H]4O | — | Details |
| quercetin-3-O-β-D-galactoside | — | O=c3c(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34 | — | Details |
| quercetin-3-O-β-D-glucoside | — | O=c3c(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34 | — | Details |
| quercetin-3-O-β-D-glucoside | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| quercetin-3-O-β-D-glucuronide | — | O=C(O)[C@H]4O[C@@H](Cc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O | — | Details |
| quercetin-3-O-β-D-robinobioside | — | C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Cc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| quercetin-3-O-β-L-ramnopyranosyl-(1-6)-β-D-glucopyranoside | — | C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Cc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]5O | — | Details |
| quercetin-3-arabinoside | 22255-13-6 | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin-3-glacaside | 22255-13-6 | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin-3-glucoside | 482-35-9 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| quercetin-3-rhamnoside | 522-12-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetin-3-xyloside | — | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)O)O | — | Details |
| quercetin-5-O-β-D-glucoside | — | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O)O)O | — | Details |
| quercetin-7-O-rhamnoside | 22007-72-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| quercetin-acetyl-glycoside | 54542-51-7 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetindeoxihexoside | 522-12-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quercetinpentoside | 572-30-5 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O | — | Details |
| quercitrin | 522-12-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | — | Details |
| quinic acid | 77-95-2 | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O | C1C(C(C(CC1(C(=O)O)O)O)O)O | Details |
| quinine | 130-95-0 | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O | — | Details |
| ranaconitine | 1360-76-5 | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C | — | Details |
| rebaudioside A | 58543-16-1 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O | CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O | Details |
| rebaudioside B | 58543-17-2 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O | — | Details |
| rebaudioside C | 63550-99-2 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@]34CC[C@H]5[C@@]6(CCC[C@@]([C@H]6CC[C@]5(C3)CC4=C)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O | — | Details |
| reserpiline | 131-02-2 | C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC | — | Details |
| resibufogenin | 465-39-4 | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O | — | Details |
| resveratrol | #N/A | #N/A | #N/A | Details |
| resveratrol | — | — | — | Details |
| resveratrol-4′ -O-(6′’-O-galloyl)-glucopyranoside | #N/A | — | — | Details |
| resveratrol-4′-O-(2′′-O-galloyl)-glucopyranoside | #N/A | — | — | Details |
| resveratrol-O-glucuronide | — | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O | — | Details |
| resveratroloside | 38963-95-0 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O | — | Details |
| retrofractamide-A | 94079-67-1 | CC(C)CNC(=O)/C=C/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| retrofractamide-B | 54794-74-0 | CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| retrofractamide-C | 96386-33-3 | CC(C)CNC(=O)/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| retrorsine | 480-54-6 | C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C | — | Details |
| retusin | 1245-15-4 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC | COc3cc(O)c2c(=O)c(OC)c(c1ccc(OC)c(OC)c1)oc2c3 | Details |
| reynosin | 28254-53-7 | C[C@@]12CC[C@@H]3[C@@H]([C@H]1C(=C)CC[C@H]2O)OC(=O)C3=C | — | Details |
| rhaponticin | 155-58-8 | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O | — | Details |
| rhein | 478-43-3 | — | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O | Details |
| rhodiosin | 86831-54-1 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | — | Details |
| rhoifolin | 17306-46-6 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O | — | Details |
| rhynchophylline | 76-66-4 | CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O | Details |
| ricinine | 524-40-3 | — | CN1C=CC(=C(C1=O)C#N)OC | Details |
| ricinoleic acid | 141-22-0 | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O | CCCCCCC(CC=CCCCCCCCC(=O)O)O | Details |
| robinin | 301-19-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O | Details |
| robustaflavone | 49620-13-5 | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O | Details |
| roemerine | 548-08-3 | CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3 | CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 | Details |
| rolliniastatin-2 | 123805-39-0 | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O | — | Details |
| roridin E | 16891-85-3 | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@@H](C)O)\C | CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)C | Details |
| roridin E acetate | #N/A | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@@H](C)OC(=O)C)\C | CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)OC(=O)C)C | Details |
| rosaramicin | 35834-26-5 | CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C | — | Details |
| rosaramicin dimethylacetal | — | CC[C@H]3OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](CC(OC)OC)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]3C | — | Details |
| rosarin | 84954-93-8 | C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O | — | Details |
| rosavin | 84954-92-7 | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=CC3=CC=CC=C3)O)O)O)O)O)O | — | Details |
| rosavin | 84954-92-7 | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC/C=C/C3=CC=CC=C3)O)O)O)O)O)O | — | Details |
| rosin | 85026-55-7 | C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| rosiridin | 100462-37-1 | CC(=CCC(/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)O)C | — | Details |
| rosmanol | 80225-53-2 | CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O | — | Details |
| rosmarinic acid | 20283-92-5 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O | — | Details |
| rothindin | 63347-43-3 | C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O | Details |
| rotungenic acid | 121467-43-4 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O | — | Details |
| rubiadin-1-methylether | 7460-43-7 | — | CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O | Details |
| rufescidride | — | C1=CC(=C2C3=C1C=C4C(=C(OC4=O)O)C3=C5C=C(C(=O)C=C5O2)O)O | — | Details |
| rupestine | — | — | CC1CCC(CC2=C1C=CC(=N2)C)C(=C)C(=O)O | Details |
| rutaecarpin | 84-26-4 | — | — | Details |
| rutaecarpine | 84-26-4 | — | C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 | Details |
| rutin | 153-18-4 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | — | Details |
| sabinene | 3387-41-5 | #N/A | CC(C)C12CCC(=C)C1C2 | Details |
| saccatoside | 85819-35-8 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O)O | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=C(C=C6)O)O)O | Details |
| safflomin A | 78281-02-4 | C1=CC(=CC=C1/C=C/C(=C\2/C(=C(C(=O)C(C2=O)([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)/O)O | — | Details |
| safflomin B | — | C1=CC(=CC=C1/C=C/C(=C2C(=O)C(C(=O)C(=C2O)C([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C3=C(C(=C(O)/C=C/C4=CC=C(C=C4)O)C(=O)C(C3=O)(O)[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)(O)[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)O | — | Details |
| sageone | 142546-15-4 | — | — | Details |
| saikosaponin-A | — | CC1C(C(C(C(O1)COC2CC[C@]3([C@@H]([C@@H]2CO)CC[C@@]4(C3C=CC56[C@]4(C[C@@H](C7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)COC8C(C(C(C(O8)CO)O)O)O)O | — | Details |
| saikosaponin-C | — | C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4CCC5(C([C@]4(C)CO)CCC6(C5C=CC78C6(C[C@@H](C9(C7CC(CC9)(C)C)CO8)O)C)C)C)O)O)O)CO)O)O)O | — | Details |
| salannin | 992-20-1 | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC(=O)C | — | Details |
| salfredin B11 | 165467-63-0 | — | CC1(C=CC2=C(O1)C=C3COC(=O)C3=C2O)C | Details |
| salicylamide | 65-45-2 | C1=CC=C(C(=C1)C(=O)N)O | — | Details |
| salicylic acid | 69-72-7 | C1=CC=C(C(=C1)C(=O)O)O | — | Details |
| salicyluric acid | 487-54-7 | C1=CC=C(C(=C1)C(=O)NCC(=O)O)O | — | Details |
| salidroside | 10338-51-9 | C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O | — | Details |
| salidroside | 10338-51-9 | C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O | Details |
| salireposide | 16955-55-8 | C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| salpleflavone | — | COc5cc(/C=C/C(=O)OC[C@H]4O[C@@H](Oc3cc2oc(c1ccc(O)cc1)cc(=O)c2c(O)c3OC)[C@H](O)[C@@H](O)[C@@H]4O)cc(OC)c5C | — | Details |
| salvianolic acid | 121521-90-2 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | — | Details |
| salvianolic acid A | 96574-01-5 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C=C/C3=CC(=C(C=C3)O)O)O)O | — | Details |
| salvianolic acid B | 121521-90-2 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | — | Details |
| salvianolic acid B and its isomer | 121521-90-2 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)O)O)O | — | Details |
| salvianolic acid E | 142998-46-7 | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O | — | Details |
| salvinorin A | 83729-01-5 | CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC | — | Details |
| sandaracopimaric acid | 471-74-9 | C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C | — | Details |
| sanguinarine | 2447-54-3 | — | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 | Details |
| santamarine | 4290-13-5 | CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C)O | — | Details |
| saponarin | 20310-89-8 | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O | — | Details |
| saponin | 8047-15-2 | C[C@]1(CCC23COC4([C@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C(C6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(CO5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C | Details |
| saringosterol | 6901-60-6 | C[C@H](CCC(C=C)(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O | Details |
| sarothalin G | — | — | — | Details |
| sarothialen A | 96624-40-7 | — | — | Details |
| sarothralen B | — | — | — | Details |
| sarracenin | 59653-37-1 | — | CC1C2C3CC(O1)OC2OC=C3C(=O)OC | Details |
| schisandrin | 7432-28-2 | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC | — | Details |
| schisandrol B | 58546-54-6 | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 | — | Details |
| schisanhenol | 69363-14-0 | COc3cc2C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1c2c(O)c3OC | — | Details |
| schisanhenol acetate | — | COc3cc2C[C@@H](C)[C@@H](C)Cc1cc(OC)c(OC)c(OC(C)=O)c1c2c(OC)c3OC | — | Details |
| schisantherin | 129445-43-8 | C[C@@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C([C@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 | — | Details |
| schisantherin A | 58546-56-8 | C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 | — | Details |
| schizandrin | 7432-28-2 | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC | — | Details |
| schizandrol A | 7432-28-2 | #N/A | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC | Details |
| schizandrol B | 58546-54-6 | C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@]1(C)O)OC)OC)OC)OC)OCO3 | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 | Details |
| sciadopitysin | 521-34-6 | — | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC | Details |
| scirpusin B | 69297-49-0 | C1=CC(=C(C=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O | — | Details |
| scoparone | 120-08-1 | — | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC | Details |
| scopolamine | 51-34-3 | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 | — | Details |
| scopoletin | 92-61-5 | — | COC1=C(C=C2C(=C1)C=CC(=O)O2)O | Details |
| scorodioside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)/C=C/C6=CC=CC=C6)OC(=O)C)O | CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C=CC6=CC=CC=C6)OC(=O)C)O | Details |
| scrophuloside A3 | — | CC(=O)O[C@@H]5[C@H](O)[C@@H](O[C@H]3[C@@H]2C=CO[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@]4(CO)O[C@@H]34)O[C@H](C)[C@H]5OC(=O)/C=C/c6ccc(O)cc6 | — | Details |
| scropolioside F | — | C[C@H]5O[C@H](O[C@H]3[C@@H]2C=CO[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@]4(CO)O[C@@H]34)[C@@H](O)[C@@H](O)[C@@H]5OC(=O)/C=C/c6ccc(O)cc6 | — | Details |
| scutebarbatine A | 176520-13-1 | CC1=CCC[C@H]2[C@]1([C@H]([C@@H]([C@]([C@]2(C)/C=C/C3=CC(=O)OC3)(C)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C | — | Details |
| scutellarin | 27740-01-8 | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O | — | Details |
| sec-O-glucosylhamaudol | 80681-44-3 | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C)C)O | — | Details |
| secoisolariciresinol diglucoside | 158932-33-3 | COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| secologanin | 19351-63-4 | COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O | Details |
| secologanin dimethylacetal | — | C=C[C@@H]1[C@H](CC(OC)OC)C(C(=O)OC)=CO[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | — | Details |
| secologanoside | 59472-23-0 | C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)O | — | Details |
| secologanoside 7-O-methyl ester | #N/A | #N/A | #N/A | Details |
| secoxyloganin | 58822-47-2 | COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | — | Details |
| sedanenolide | 63038-10-8 | CCCC[C@H]1C2=C(C=CCC2)C(=O)O1 | — | Details |
| sedanolide | 6415-59-4 | CCCCC1C2CCCC=C2C(=O)O1 | — | Details |
| senecionine | 130-01-8 | C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C | — | Details |
| senkirkine | 2318-18-5 | C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C | — | Details |
| senkyunolide A | 63038-10-8 | CCCC[C@H]1C2=C(C=CCC2)C(=O)O1 | — | Details |
| senkyunolide-H | 94596-27-7 | CCC/C=C\1/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1 | — | Details |
| senkyunolide-I | 94596-28-8 | CCC/C=C\1/C2=C([C@@H]([C@H](CC2)O)O)C(=O)O1 | — | Details |
| series of betacyanins | — | — | — | Details |
| series of saponariosides | — | — | — | Details |
| sesamin | 607-80-7 | C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6 | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 | Details |
| sesamolin | 526-07-8 | C1[C@H]2[C@H](CO[C@@H]2OC3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6 | C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 | Details |
| shanzhiside methyl ester | 64421-28-9 | C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O | Details |
| shikonin | 517-89-5 | CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C | CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C | Details |
| shionone | 10376-48-4 | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@](C4)(C)CCC=C(C)C)C)C)C)C | — | Details |
| siderochelin A | 77550-87-9 | C[C@]1(CC(N=C1C2=C(C=CC=N2)O)C(=O)N)O | — | Details |
| silybin | 22888-70-6 | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| silybinin | 22888-70-6 | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O | — | Details |
| silychristin | 33889-69-9 | COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O | — | Details |
| silycristin | 33889-69-9 | COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O | — | Details |
| silydianin | 29782-68-1 | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O | — | Details |
| sinapaldehyde glucoside | 154461-65-1 | COC1=CC(=CC(=C1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C=O | — | Details |
| sinapis | 20196-67-2 | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | — | Details |
| sinapoyl isohamnetin hexoside | — | — | — | Details |
| sinensetin | 2306-27-6 | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC | — | Details |
| sinigrin | 64550-88-5 | C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O | — | Details |
| sinoacutine | 4090-18-0 | CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC | — | Details |
| sinoflavonoids A-B | — | CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C4C=CC(OC4=C(C=C3)O)(C)C)OC)O | — | Details |
| sinomenine | 115-53-7 | CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC | — | Details |
| sinomenine hydrochloride | 6080-33-7 | CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl | CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC.Cl | Details |
| sitosterol | 83-46-5 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C | — | Details |
| sitosteryl ferulate | 286011-30-1 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C)C(C)C | — | Details |
| skimmianine | 83-95-4 | — | COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC | Details |
| skullcapflavone II | 55084-08-7 | #N/A | COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O | Details |
| solamargine | 20311-51-7 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1 | — | Details |
| solanesol | 13190-97-1 | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C | — | Details |
| solanidine | 80-78-4 | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C | — | Details |
| solasonine | 19121-58-5 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1 | — | Details |
| sophocarpin | 6483-15-4 | O=C1C=CCC2C3CCCN4CCCC(CN12)C34 | — | Details |
| sophora flavanone G | #N/A | #N/A | #N/A | Details |
| sophoraflavanone G | 97938-30-2 | CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C | — | Details |
| sophoramin | — | O=c2cccc1C3CCCN4CCCC(Cn12)C34 | — | Details |
| sophoratonkin | #N/A | #N/A | #N/A | Details |
| sparganiaside A | — | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)OC(=O)C)OC(=O)/C=C/C4=CC(=C(C=C4)O)OC)COC(=O)C)O)O)O | — | Details |
| spicatoside A | 128397-47-7 | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)OC1 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)OC1 | Details |
| spicatoside D | #N/A | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O | CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O | Details |
| spilanthol | 25394-57-4 | C/C=C/C=C\CC/C=C/C(=O)NCC(C)C | — | Details |
| spinosin | 72063-39-9 | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | — | Details |
| squalene | 111-02-4 | CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C | — | Details |
| squamocin | 120298-30-8 | CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O | — | Details |
| stearic acid | 57-11-4 | CCCCCCCCCCCCCCCCCC(=O)O | CCCCCCCCCCCCCCCCCC(=O)O | Details |
| stenocarpin isobutyrate | #N/A | #N/A | #N/A | Details |
| stepharine | 2810-21-1 | — | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC | Details |
| sterubin | — | — | — | Details |
| steviol glycosides | 57817-89-7 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | — | Details |
| steviolbioside | 41093-60-1 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O | — | Details |
| stevioside | 57817-89-7 | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | Details |
| stigmasterol | 83-48-7 | CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C | — | Details |
| strictinin | 517-46-4 | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O | — | Details |
| strychnine | 57-24-9 | [H][C@@]12CC(=O)N3c4ccccc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H] | — | Details |
| strychnine | 57-24-9 | C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 | — | Details |
| strychnine chloromethochloride | #N/A | #N/A | #N/A | Details |
| succinic acid | 110-15-6 | C(CC(=O)O)C(=O)O | — | Details |
| sucrose | 57-50-1 | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O | — | Details |
| sudan III | 85-86-9 | — | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O | Details |
| suillin | 103538-03-0 | CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1O)O)OC(=O)C)C)C)C)C | — | Details |
| sulforaphane | 4478-93-7 | CS(=O)CCCCN=C=S | — | Details |
| sulforaphene | 592-95-0 | CS(=O)C=CCCN=C=S | — | Details |
| sulfuretin | 120-05-8 | C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O | — | Details |
| suprofen | 40828-46-4 | #N/A | CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O | Details |
| suspensaside A | 84213-44-5 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)OCC(O3)C4=CC(=C(C=C4)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C3C(O2)OCC(O3)C4=CC(=C(C=C4)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O | Details |
| swerchirin | 521-65-3 | — | COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C(C=C3O2)OC)O | Details |
| swertiabisxanthone-I | — | — | — | Details |
| swertiabisxanthone-I 8′-O-β-D-glucopyranoside | — | C1=CC(=C2C(=C1O)OC3=C(C2=O)C(=C(C(=C3)O)C4=CC(=C5C(=C4O)C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O | — | Details |
| swertiajaponin | 6980-25-2 | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| swertianolin | 23445-00-3 | COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| swertisin | 6991-10-01T22:00:00.000Z | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| symlandine | 74410-74-5 | C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O | — | Details |
| symphytine | 22571-95-5 | C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O | — | Details |
| syringaldehyde butyl glycerol | — | — | — | Details |
| syringaldehyde hexyl glycerol | — | — | — | Details |
| syringaldehyde pentyl glycerol | — | — | — | Details |
| syringalide A 3'-α-L-rhamnopyranoside | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC=C(C=C4)O)O)O)O)O | — | Details |
| syringalide A 3′-α-rhamnospyranoside | — | C[C@@H]4O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc1cccc(O)c1)O[C@H](CO)[C@H]2OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@H]4O | — | Details |
| syringaresinol-4′,4′′-di-O-β-D-glucopyranoside | 66791-77-3 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@H]([C@@H]4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC | — | Details |
| syringaresinol-4′-O-β-D-glucopyranoside | — | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC | — | Details |
| syringetin 3-O-β-D-glucoside | 40039-49-4 | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| syringetin-3-O-β-D-glucoside | 40039-49-4 | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| syringin | 118-34-3 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO | — | Details |
| tanaparthin-β-peroxide | — | — | — | Details |
| tangeretin | 481-53-8 | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC | Details |
| tannins (mixture), none identified | — | — | — | Details |
| tanshinone I | 568-73-0 | — | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C | Details |
| tanshinone II | 568-72-9 | — | — | Details |
| tanshinone IIA | 568-72-9 | — | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C | Details |
| taraxasterol acetate | 6426-43-3 | C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)OC(=O)C)C | — | Details |
| taraxasterol-3β-O-actetate | 6426-43-3 | C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)OC(=O)C)C | — | Details |
| taraxeryl acetate | 2189-80-2 | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C)(C)C)C)C | — | Details |
| tartaric acid | 87-69-4 | C(C(C(=O)O)O)(C(=O)O)O | — | Details |
| taxifolin | 480-18-2 | C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | — | Details |
| taxifolin-3-glucoside | 27297-45-6 | C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O | — | Details |
| taxol | 33069-62-4 | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C | — | Details |
| taxusabietane A | #N/A | CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O)OC | CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCC(=O)C3(C)C)C)O)OC | Details |
| tazettoside E | — | COC1=CC=CC=C1CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | COC1=CC=CC=C1CCCOC2C(C(C(C(O2)CO)O)O)O | Details |
| tectoquinone | 84-54-8 | — | CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O | Details |
| tectoridin | 611-40-5 | COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| tectorigenin | 548-77-6 | COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O | COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O | Details |
| tectorigenin-7-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside | — | [H][C@@]5(OC[C@H]4O[C@@]([H])(Oc3cc2occ(c1ccc(O)cc1)c(=O)c2c(O)c3OC)[C@H](O)[C@@H](O)[C@@H]4O)OC[C@@H](O)[C@H](O)[C@H]5O | — | Details |
| tellimagrandin I | — | C1[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O | — | Details |
| tellimagrandin II | 81571-72-4 | O=C3Cc1cc(O)c(O)c(O)c1c2c(cc(O)c(O)c2O)CC(=O)O[C@@H]6[C@@H](CO3)O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H]6OC(=O)c7cc(O)c(O)c(O)c7 | — | Details |
| telocinobufagin | 472-26-4 | C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O | — | Details |
| telocinobufagin-3-pimeloyl-L-arginine | — | C[C@]12CC[C@H](OC(=O)CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@]1(O)CC[C@@H]4[C@@H]2CC[C@]5(C)[C@@H](c3ccc(=O)oc3)CC[C@]45O | — | Details |
| telocinobufagin-3-suberoyl-L-arginine | — | C[C@]12CC[C@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@]1(O)CC[C@@H]4[C@@H]2CC[C@]5(C)[C@@H](c3ccc(=O)oc3)CC[C@]45O | — | Details |
| tenuazonic acid | 610-88-8 | #N/A | CCC(C)C1C(=C(C(=O)N1)C(=O)C)O | Details |
| terpinen-4-ol | 562-74-3 | — | CC1=CCC(CC1)(C(C)C)O | Details |
| tetra-O-galloylglucose | — | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H](CO)[C@H]([C@@H]([C@H](C=O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | — | Details |
| tetrahydroanthracene | 30551-09-8 | — | — | Details |
| tetrahydrocannabinol | 1972-08-02T22:00:00.000Z | CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O | — | Details |
| tetrahydrocannabinolic acid A | 23978-85-0 | CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1C(=O)O)O | — | Details |
| tetrahydropalmatine | 2934-97-6 | — | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC | Details |
| tetramethyl-o-scutellarein | 1168-42-9 | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC | — | Details |
| tetrandrine | 518-34-3 | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC | — | Details |
| tetrapterol I | — | CC(=CCC1=CC2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C | — | Details |
| tetrazole | 288-94-8 | #N/A | C1=NNN=N1 | Details |
| teuvincenone E | #N/A | CC1CC2=C(C3=C(C(=C2O1)O)[C@]4(CC(=O)C(=C(C4=CC3=O)C)C)C)O | CC1CC2=C(C3=C(C(=C2O1)O)C4(CC(=O)C(=C(C4=CC3=O)C)C)C)O | Details |
| theaflavin | 4670-05-7 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O | — | Details |
| theaflavin-3'-gallate | — | C1CC(=O)C2=C(CC1[C@@H]3[C@@H](CC4=C(C=C(C=C4O3)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)C(=CC(=C2O)O)[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)O | — | Details |
| theaflavin-3,3-digallate | — | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O | — | Details |
| theaflavin-3,3′-digallate | — | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O | — | Details |
| theaflavin-3-3'-O-digallate | — | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O | — | Details |
| theaflavin-3-gallate | 30462-34-1 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O | — | Details |
| theaflavin-3′-gallate | — | C1CC(=O)C2=C(CC1[C@@H]3[C@@H](CC4=C(C=C(C=C4O3)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)C(=CC(=C2O)O)[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)O | — | Details |
| thearubigin | 12698-96-3 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C(C(=C3)C(CC(=O)O)[C@@H]4[C@@H](CC5=C(C=C(C=C5O4)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)C(=O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O | — | Details |
| theophylline | 58-55-9 | — | — | Details |
| thevetin A | 37933-66-7 | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O | — | Details |
| thevetin B | 27127-79-3 | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O | — | Details |
| theviridoside | 23407-76-3 | COC(=O)C1=CO[C@H]([C@H]2[C@@]1(CC=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| thonningianin A | 271579-11-4 | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O | — | Details |
| thonningianin B | — | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O | — | Details |
| thymol | 89-83-8 | — | CC1=CC(=C(C=C1)C(C)C)O | Details |
| tieghemelin | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(C[C@@H]([C@@H]([C@@]([C@@H]9[C@@H](C[C@]8([C@@]7(C[C@H]6O)C)C)O)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)C)(C)C)O)O)C)O)O)O)O | — | Details |
| tiliroside | 20316-62-5 | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O | — | Details |
| tirandamycin A | 34429-70-4 | C[C@H]1[C@@H]2C(=O)[C@H]3[C@](O3)([C@@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\4/C(=O)CNC4=O)/O)C)C | — | Details |
| tirandamycin B | 60587-14-6 | C[C@H]1[C@H]2C(=O)[C@@H]3[C@@](O3)([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\4/C(=O)CNC4=O)/O)C)CO | — | Details |
| toddalolactone | 483-90-9 | CC(C)([C@@H](CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O | CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O | Details |
| torachrysone-8-O-glucoside | #N/A | #N/A | #N/A | Details |
| tormentic acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl)-glucopyranosyl ester | — | [H][C@@]67CC[C@@]5(C)[C@]4(C)CC[C@@]3(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@H](C)[C@@](C)(O)[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)C[C@@H](O)[C@H](O)[C@@]7(C)C | — | Details |
| tormentic acid 28-O-β-D-(2'-O-α-L-arabinopyranosyl-3'-O-β-D-glucopyranosyl) glucopyranosyl ester | — | [H][C@@]78CC[C@@]6(C)[C@]5(C)CC[C@@]4(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@@H](C)[C@@](C)(O)[C@@]4([H])C5=CC[C@]6([H])[C@@]7(C)C[C@@H](O)[C@H](O)[C@@]8(C)C | — | Details |
| trametenolic acid | 24160-36-9 | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C | — | Details |
| trans-3,5,4′-trihydroxystilbene-4′-O- β-D-(6′-O-gallayl)-glucoside | 118-34-3 | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO | — | Details |
| trans-asarone | 2883-98-9 | C/C=C/C1=CC(=C(C=C1OC)OC)OC | — | Details |
| trans-coumaric acid-2-O-ß-D-glucoside | — | C1=CC=C(C(=C1)/C=C/C(=O)O)OC2C(C(C(C(O2)CO)O)O)O | — | Details |
| trans-crocetin-monogentiobiosyl ester | 42553-65-1 | C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C(=O)O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)/C=C/C=C(C)/C(=O)O | — | Details |
| trans-dehydro androsterone | #N/A | #N/A | #N/A | Details |
| trans-desoxyrhaponticin | 30197-14-9 | COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O | — | Details |
| trans-fagaramide | 495-86-3 | CC(C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 | — | Details |
| trans-o-coumaric acid | 614-60-8 | C1=CC=C(C(=C1)/C=C/C(=O)O)O | — | Details |
| trans-phytol | 150-86-7 | C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C | — | Details |
| trans-piceid | 27208-80-6 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| trans-resveratrol | 501-36-0 | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O | — | Details |
| trans-resveratrol | 501-36-0 | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O | — | Details |
| trans-rhapontin | 155-58-8 | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | — | Details |
| trans-δ-viniferin | 204076-78-8 | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O | C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O | Details |
| trans-δ-viniferin enantiomers (7S, 8S) and (7R, 8R) | 204076-78-8 | C1=CC(=CC=C1[C@H]2[C@@H](C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| trans-ε-viniferin | 129170-22-5 | C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | Details |
| trans-ε-viniferin | 62218-08-0 | C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | — | Details |
| tri-O-galloylglucose | — | — | — | Details |
| triacetyl soyasaponin Aa | 117230-33-8 | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@H](CO[C@H]([C@@H]2O)O[C@@H]3[C@@H](C(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@]7(C)CO)OC8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C)(C)C)O)O | — | Details |
| triacetyl soyasaponin Ab | 118194-13-1 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](CO[C@H]([C@@H]2O)O[C@@H]3[C@@H](C(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C)(C)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C | — | Details |
| triacetyl soyasaponin Ae | 117230-34-9 | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@H](CO[C@H]([C@@H]2O)O[C@@H]3[C@@H](C(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)C)(C)C)O)O | — | Details |
| triacetyl soyasaponin Af | — | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](CO[C@H]([C@@H]2O)O[C@@H]3[C@@H](C(C[C@@H]4[C@]3(CC[C@@]5(C4=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)C) | — | Details |
| triacetyl soyasaponin Ba | 114590-20-4 | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O | — | Details |
| triacetyl soyasaponin Bb | 51330-27-9 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(C[C@H]8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | — | Details |
| triacetyl soyasaponin Be | — | — | — | Details |
| triacetyl soyasaponin αg (conjugated group) | — | — | — | Details |
| triacetyl soyasaponin βg (conjugated group) | — | — | — | Details |
| triacetyl soyasaponin γg (conjugated group) | — | — | — | Details |
| trichocarpine | 10590-85-9 | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | — | Details |
| trichodesmine | 548-90-3 | CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O | — | Details |
| tricin | 520-32-1 | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O | — | Details |
| tricin-7-O-glycoside | — | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| trifloroside | 53823-10-2 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3CCOC(=O)C3=CO2)C=C)OC(=O)C)OC(=O)C)OC(=O)C4=C(C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | CC(=O)OCC1C(C(C(C(O1)OC2C(C3CCOC(=O)C3=CO2)C=C)OC(=O)C)OC(=O)C)OC(=O)C4=C(C(=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O | Details |
| trifoside | 154-36-9 | — | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O | Details |
| trigofoenoside A-1 | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4(C5CC[C@]6(C(C5CC=C4C3)CC7C6[C@@H](C(O7)(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)CO)O)O)O)O)O | — | Details |
| trigofoenoside A-2 | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4(C5CC[C@]6(C(C5CC=C4C3)CC7C6[C@@H](C(O7)(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)CO)O)O)O)O)O | — | Details |
| trigofoenoside A-3 | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4(C5CC[C@]6(C(C5CC=C4C3)CC7C6[C@@H](C(O7)(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)CO)O)O)O)O)O | — | Details |
| trigofoenoside A-4 | — | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@]4(C5CC[C@]6(C(C5CC=C4C3)CC7C6[C@@H](C(O7)(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)CO)O)O)O)O)O | — | Details |
| trigofoenoside F1 | — | COC9(CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC8CC7C6CC=C5CC(O[C@@H]4O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)CCC5(C)C6CCC7(C)C8C9C | — | Details |
| trigofoenoside G1 | — | COC%10(CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC9CC8C7CC=C6CC(O[C@@H]5O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O)CCC6(C)C7CCC8(C)C9C%10C | — | Details |
| trijuganone | 135247-94-8 | — | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C | Details |
| trijuganone B | 126979-84-8 | — | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C | Details |
| trilobatin | 4192-90-9 | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O | Details |
| tripalmitin | 555-44-2 | #N/A | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | Details |
| tripdiolide | 38647-10-8 | CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(C[C@@H](C6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)O)C | — | Details |
| triptexanthoside C | — | COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC | — | Details |
| triptolide | 38748-32-2 | CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C | — | Details |
| triptonide | 38647-11-9 | CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4(C2=O)O7)COC6=O)C | — | Details |
| triptonoterpene methyl ether | — | CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O | — | Details |
| triptophenolide | 74285-86-2 | CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O | — | Details |
| triterpenoic acid | — | — | — | Details |
| trp-tyr | 19653-76-0 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)N | Details |
| tussilagone | 104012-37-5 | CC/C(=C/C(=O)O[C@@H]1C[C@H]([C@H]2[C@H](C1=C)CC(=O)[C@@H]2[C@@H](C)OC(=O)C)C(C)C)/C | — | Details |
| umbelliferone | 93-35-6 | — | — | Details |
| uplandicine | 74202-10-1 | C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)(C)O)O)O | — | Details |
| urolithin A | 1143-70-0 | #N/A | C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O | Details |
| urolithin B | 1139-83-9 | #N/A | C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O | Details |
| ursolic acid | 77-52-1 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O | — | Details |
| ursolic acid lactone | 29428-70-4 | C[C@@H]1CC[C@]23CC[C@]4([C@@]5(CC[C@@H]6[C@@]([C@H]5CC[C@@]4([C@@H]2[C@H]1C)OC3=O)(CC[C@@H](C6(C)C)O)C)C)C | — | Details |
| usaramine | 15503-87-4 | C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C | — | Details |
| usnic acid | 125-46-2 | #N/A | CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O | Details |
| ustilaginoidin A | 3692-07-7 | #N/A | CC1=CC(=C2C(=CC3=C(C(=O)C=C(C3=C2O)O)C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O1)O | Details |
| ustilaginoidin B | 59204-76-1 | #N/A | CC1=CC(=C2C(=CC3=C(C(=O)C=C(C3=C2O)O)C4=C5C=C6C(=C(C=C(O6)CO)O)C(=C5C(=CC4=O)O)O)O1)O | Details |
| ustilaginoidin C | 59231-32-2 | #N/A | C1=C(OC2=CC3=C(C(=O)C=C(C3=C(C2=C1O)O)O)C4=C5C=C6C(=C(C=C(O6)CO)O)C(=C5C(=CC4=O)O)O)CO | Details |
| ustilaginoidin G | 56932-57-1 | #N/A | CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O)O | Details |
| ustilaginoidin H | #N/A | #N/A | #N/A | Details |
| ustilaginoidin I | #N/A | #N/A | #N/A | Details |
| ustilaginoidin J | #N/A | #N/A | #N/A | Details |
| val-val-tyr-pro | #N/A | CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2CCC[C@H]2C(N)=O)C(C)C | — | Details |
| vanillic acid | 121-34-6 | COC1=C(C=CC(=C1)C(=O)O)O | COC1=C(C=CC(=C1)C(=O)O)O | Details |
| vellosiminol | 604-99-9 | C/C=C/1\CN2[C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO | — | Details |
| veratriloside | 76907-78-3 | COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC | — | Details |
| verbascoside | 61276-17-3 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | — | Details |
| verbascoside | 61276-17-3 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | Details |
| verproside | 50932-20-2 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3CCOC(=O)C3=CO2)C=C)OC(=O)C)OC(=O)C)OC(=O)C4=C(C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O | C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O | Details |
| verrucarin J | 4643-58-7 | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\C | CC1=CC2C3(CC1)COC(=O)C=C(CCOC(=O)C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C | Details |
| verticillatine B | — | — | — | Details |
| verticine | 23496-41-5 | C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O | — | Details |
| verticinone | 18059-10-4 | C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O | — | Details |
| verucarin L acetate | #N/A | C/C/1=C\C(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3(C45CO5)C)OC(=O)/C=C\C=C\C(=O)OCC1)C)OC(=O)C | CC1=CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(=O)OCC1)C)OC(=O)C | Details |
| vicenin 1 (apigenin 6-C-β-d-xylopyranosyl-8-C-β-d-glucopyranoside) | — | C1[C@H]([C@@H](C([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O)O)O)O | C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O | Details |
| vicenin 2 (apigenin 6,8-di-C-β-d-glucopyranoside) | 23666-13-9 | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O | Details |
| vicenin 3 (6-C-β-d-glucopyranosyl-8-C-β-d-xylopyranoside) | 59914-91-9 | C1[C@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O | C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O | Details |
| vincamine | 1617-90-9 | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O | — | Details |
| vincine | 4752-37-8 | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4[C@](C2)(C(=O)OC)O)C=C(C=C5)OC | — | Details |
| virginiamycin-M1 | 21411-53-0 | C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C | — | Details |
| virginiamycin-M2 | 21102-49-8 | C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C | — | Details |
| virginiamycin-S1 | 23152-29-6 | CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C | — | Details |
| vitexin | 3681-93-4 | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O | — | Details |
| vitisin A | 142449-89-6 | C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)/C=C/C8=C9[C@@H]([C@H](OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O | C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(C(OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O | Details |
| vitisin B | 184362-10-5 | COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O | COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)OC5C(C(C(C(O5)CO)O)O)O | Details |
| vitisin C | 180580-73-8 | C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O | — | Details |
| vitisin C | 180580-73-8 | C1=CC(=CC=C1[C@@H]2[C@H](C3=C(C=C(C=C3O2)O)/C=C/C4=CC5=C(C=C4)O[C@H]([C@H]5C6=C7[C@@H]([C@H](OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O | C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O | Details |
| voachalotine | 664-25-5 | C/C=C\1/CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC | — | Details |
| vogeloside | 60077-47-6 | O([C@@H]1OC=C2[C@H]([C@@H]1C=C)CC(OC2=O)OC)[C@@H]3O[C@@H]([C@@H](O[H])[C@H](O[H])[C@H]3O[H])CO[H] | — | Details |
| vogeloside | 60077-47-6 | COC1CC2C(C(OC=C2C(=O)O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C | — | Details |
| wallichilide | 93236-64-7 | CCCCC(=O)[C@]12CC[C@H](C=C1C(=O)OC)[C@H]3[C@@H]2C4=C(CC3)/C(=C/CCC)/OC4=O | — | Details |
| wedelolactone | 524-12-9 | — | COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O)O | Details |
| wiedemannioside C | — | COc5cc(/C=C/C(=O)O[C@@H]3[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)ccc5O | — | Details |
| wilfordine | 37239-51-3 | CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OC[C@@]3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C | — | Details |
| wilforgine | 37239-47-7 | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C | — | Details |
| wilforine | 11088-09-8 | — | CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C | Details |
| wilfortrine | 37239-48-8 | CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14C([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C5=COC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OC[C@@]3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C | — | Details |
| wilsonine | 39024-12-9 | CO[C@H]1C[C@]23C4=CC(=C(C=C4CCCN2C[C@@H]5[C@]3(O5)C=C1)OC)OC | — | Details |
| wogonin | 32-85-9 | — | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O | Details |
| wogonin | 632-85-9 | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O | Details |
| wogonoside | 51059-44-0 | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O | — | Details |
| woonenoside XI | — | COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | — | Details |
| worenine | 38763-29-0 | — | — | Details |
| xanthathin | 26791-73-1 | C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2 | — | Details |
| xanthoangelol | 62949-76-2 | CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C | CC(=CCCC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C | Details |
| xanthohumol | 6754-58-1 | CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C | CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C | Details |
| xanthohumol B | 189308-10-9 | CC1(C(CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)O)C | — | Details |
| xanthohumol C | 189299-05-6 | CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)C | CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=CC3=CC=C(C=C3)O)O)C | Details |
| xanthomonasin A | 140375-37-7 | CCCCCC(=O)C1=C2C3=C(C[C@]([C@]2(OC1=O)C)(/C=C/C)O)C(=C(O3)O)C=O | CCCCCC(=O)C1=C2C3=C(CC(C2(OC1=O)C)(C=CC)O)C(=C(O3)O)C=O | Details |
| xanthomonasin B | 146445-98-9 | CCCCCCCC(=O)C1=C2C3=C(C[C@]([C@]2(OC1=O)C)(/C=C/C)O)C(=C(O3)O)C=O | CCCCCCCC(=O)C1=C2C3=C(CC(C2(OC1=O)C)(C=CC)O)C(=C(O3)O)C=O | Details |
| xanthotoxin | 298-81-7 | — | COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 | Details |
| xanthyletin | 553-19-5 | — | — | Details |
| yangonin | 500-62-9 | COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC | — | Details |
| yuanhuacine | — | C=C(C)[C@@]16O[C@@]5(/C=C/C=C/CCCC)O[C@@H]1[C@@H]4[C@@H]2O[C@]2(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3C4(O5)[C@H](C)[C@H]6OC(=O)c7ccccc7 | — | Details |
| yuanhuadine | — | CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO | — | Details |
| yuanhuafine | 82870-43-7 | C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@]1(C5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C | — | Details |
| yuanhuagine | — | CCC/C=C/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO | — | Details |
| yuanhuahine | — | CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)CC)C)C=C(C6=O)C)O)O)CO | — | Details |
| yuanhuajine | — | C=C(C)[C@@]16O[C@@]5(/C=C/C=C/CCC)O[C@@H]1[C@@H]4[C@@H]2O[C@]2(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3C4(O5)[C@H](C)[C@H]6OC(=O)c7ccccc7 | — | Details |
| yuanhualine | — | CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)CCC)C)C=C(C6=O)C)O)O)CO | — | Details |
| yuanhuaoate C | — | CCCCC/C=C/C=C/C(=O)O[C@H]1[C@H]2[C@@H]3[C@@](O3)([C@@H]([C@@]4([C@@H]([C@]2([C@H]([C@@H]([C@]1(C(=C)C)O)OC(=O)C)C)O)C=C(C4=O)C)O)O)CO | — | Details |
| yuanhuaoate E | — | CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@@H]2[C@H]3[C@](O3)([C@H]([C@]4([C@H]([C@]2([C@@H]([C@H]([C@]1(C(=C)C)O)OC(=O)C5=CC=CC=C5)C)O)C=C(C4=O)C)O)O)CO | — | Details |
| yunaconitine | 70578-24-4 | — | — | Details |
| zeaxanthin | 144-68-3 | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C | — | Details |
| zeaxanthin dipalmitate | 144-67-2 | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C(=C(C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)\C)\C)/C)/C)(C)C | — | Details |
| zeaxanthin monopalmitate | 87891-75-6 | CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C)C | — | Details |
| zingiberensis saponin I | 91653-50-8 | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1 | — | Details |
| ß-asarone | 5273-86-9 | C/C=C\C1=CC(=C(C=C1OC)OC)OC | — | Details |
| ß-elemonic acid | 28282-25-9 | CC(=CCC[C@@H]([C@H]1CC[C@]2([C@]1(CCC3=C2CC[C@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C | — | Details |
| ß-tocopherol | 148-03-8 | CC1=CC(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O | — | Details |
| α and β-mangostin | 20931-37-7 | — | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C | Details |
| α-amyrin-3β-O-actetate | 863-76-3 | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C | — | Details |
| α-asarone | 2883-98-9 | C/C=C/C1=CC(=C(C=C1OC)OC)OC | — | Details |
| α-chaconine | 20562-03-2 | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C | — | Details |
| α-cyperone | 132983-05-2 | CC1=C2C[C@@H](CC[C@]2(CCC1=O)C)C(=C)C | — | Details |
| α-linolenic acid | 463-40-1 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | — | Details |
| α-mangostin | 6147-11-1 | — | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C | Details |
| α-pinene | 80-56-8 | #N/A | CC1=CCC2CC1C2(C)C | Details |
| α-solanine | 20562-02-1 | — | CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C | Details |
| α-terpineol | 98-55-5 | — | CC1=CCC(CC1)C(C)(C)O | Details |
| α-terthienyl | 1081-34-1 | — | C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3 | Details |
| α-tocomonoenol | #N/A | #N/A | #N/A | Details |
| α-tocopherol | 77171-97-2 | CC1=C(C2=C(CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=C1O)C)C | — | Details |
| α-tocotrienol | 58864-81-6 | CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=C1O)C)C | CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C | Details |
| α-yohimbine | 146-48-5 | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O | — | Details |
| β, β-dimethylacrylshikonin | 24502-79-2 | CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C | — | Details |
| β-1,2,3,6-Tetragalloyl-D-glucose | 79886-50-3 | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O | — | Details |
| β-amyrin-3β-O-actetate | 1616-93-9 | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C | — | Details |
| β-asarone | 5273-86-9 | C/C=C\C1=CC(=C(C=C1OC)OC)OC | — | Details |
| β-caryophyllene | 87-44-5 | C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C | — | Details |
| β-elemene | 515-13-9 | CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C | CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C | Details |
| β-estradiol | 50-28-2 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O | Details |
| β-farnesene | 18794-84-8 | CC(=CCC/C(=C/CCC(=C)C=C)/C)C | — | Details |
| β-hydroxyisovalerylshikonin | 7415-78-3 | CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C | — | Details |
| β-sitosterol | 83-46-5 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C | — | Details |
| γ-mangostin | 31271-07-5 | — | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C | Details |
| γ-oryzanol | 11042-64-1 | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C | — | Details |
| γ-schisandrin | 61281-37-6 | C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3 | — | Details |
| γ-tocopherol | 54-28-4 | CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O | — | Details |
| γ-tocotrienol | 14101-61-2 | CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O | CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O | Details |
| δ-tocopherol | 119-13-1 | CC1=CC(=CC2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O | — | Details |
| δ-tocotrienol | 25612-59-3 | CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O | Details |
| ε-viniferin | 62218-08-0 | C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O | Details |
