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
11-methoxygelsemamide
[H][C@@]15C[C@@]4([H])/C(=C/C)CN3C(=O)[C@]1(c2ccc(OC)cc2NOC)CC3[C@@]4([H])CO5
fagaronine
52259-65-1
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
5-(4′-methyl-2′,5′-dihydrofuran-2′-yl)indole
CC3=CC(c2ccc1[nH]ccc1c2)OC3
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
chuanxiongzine
1124-11-4
(−)-crebanine
25127-29-1
[H][C@]35Cc1c(ccc(OC)c1OC)c4c2OCOc2cc(CCN3C)c45
huperzine B
103548-82-9
CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4
mesembrine
24880-43-1
CN1CC[C@]2([C@@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
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
armepavine
5884-67-3
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
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
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
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
oxymatrine
16837-52-8
C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
hetisine
10089-23-3
corynoline
18797-79-0
C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O
nigakinone
18110-86-6
nigellaquinomine
CC1=CC(N=C2C1=CC3=C(C(C(=O)[C@]3(C2)C)(C)C)C)(C)C
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
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
(+)-corydine
476-69-7
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC
akuammicine
639-43-0
C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC
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
anonaine
1862-41-5
C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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
nigelladine B
CC1=CC(N=C2C1=CC3=C(C(=O)C[C@@]3(C2)C)C(C)C)(C)C
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
dl-tetrahydropalmatine
10097-84-4
N-cinnamoyl-12-demethoxycylindrocarine
[H][C@]13CC[C@@]6(CC(=O)OC)CCCN5CC[C@@]1(c2ccccc2N3C(=O)/C=C/c4ccccc4)[C@@]56[H]
epiberberine
6873-09-2
#N/A
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC
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
drupacine
49686-57-9
CO[C@]12C[C@]34CCCN3C[C@H](O1)C5=CC6=C(C=C5[C@@H]4[C@@H]2O)OCO6
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
13-dehydro-2α,3β,6β-trihydroxyhetisine
C=C3CC24C[C@@]1(O)C6[C@]7(C)CN1C5C2C(=O)C3CC4C56C[C@@H](O)[C@@H]7O
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
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
norchelerythrine
6900-99-8
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
guanfu base Q
C=C3CC24C[C@@]6(O)C1[C@@]7(C)C[C@H](O)[C@@H](OC(C)=O)C15C2CC3C(=O)C4C5N6C7
isolysergic amide
2889-26-1
CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
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
harmaline
304-21-2
chanoclavine
2390-99-0
C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO
5-prenylindole
C/C(C)=C\Cc2ccc1[nH]ccc1c2
(+)-isocorydine
475-67-2
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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
ancistrobertsonines C
COc2cc(OC)c1c(C[C@H](C)N(C)[C@@H]1C)c2c3ccc(OC)c4c(OC)cc(C)cc34
2-hydroxy-1-methoxyaporphine
33770-27-3
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
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
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
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
fortunine
CO[C@H]6C=CC15OC1CN4CCCC3C=C2OCOC2=CC3[C@@]45C6
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
1-methoxycarbonyl-carboline
COC(=O)c2nccc3c1ccccc1[nH]c23
5-(but-3′-en-2′-one)indole
CC(=O)/C=C/c2ccc1[nH]ccc1c2
(+)-glaucine
475-81-0
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
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
harmine
442-51-3
columbamine
3621-36-1
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
N-formylloline
38964-33-9
CN(C=O)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
ancistrobertsonines D
COc3cccc4c(c2c(O)cc1C[C@H](C)N(C)[C@H](C)c1c2OC)c(C)cc(OC)c34
mesembrenone
468-54-2
CN1CC[C@]2([C@@H]1CC(=O)C=C2)C3=CC(=C(C=C3)OC)OC
1-methyl-2-[(6Z,9Z)]-6,9-pentadecadienyl-4-(1H)-quinolone
CCCCC/C=C\C\C=C/CCCCCc2cc(=O)c1ccccc1n2C
koumine
1358-76-5
ricinine
524-40-3
1-methyl-2-dodecyl-4-(1H)-quinolone
matrine
519-02-8
C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1
jatrorrhizine
3621-38-3
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
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
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
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
macusine B
6792-07-0
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
huperzine A
102518-79-6
C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
N-methylasimilobine
3153-55-7
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)O
N-nornuciferin
4846-19-9
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)OC
rutaecarpin
84-26-4
akuammine
3512-87-6
l-romerine
548-08-3
CN3CCc4cc1OCOc1c5c2ccccc2CC3c45
palmatine
3486-67-7
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
10-methoxytetrahydroalstonine
COC(=O)C4=CO[C@@H](C)[C@]5(C)CN3CCc1c([nH]c2ccc(OC)cc12)[C@]3(C)C[C@]45C
lycopsamine
10285-07-1
C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O
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
5-[5′-(3-methylfuran-2′(5′H)-one)]indole
CC3=CC(c2ccc1[nH]ccc1c2)OC3=O
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
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
theophylline
58-55-9
oubatchensine
dihydrocapsaicin
19408-84-5
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
lysergol
602-85-7
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO
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
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
protopine
130-86-9
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
(−)-stephanine
517-63-5
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC=C5OC)OCO3
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
mesembrenol
COc3ccc([C@@]12C=CC(O)C[C@@H]1N(C)CC2)cc3OC
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
corydine
476-69-7
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)O)OC
19-xo-gelsenicine
CON(C(=O)C1CC2N=C(C(C)=O)C3CC1OCC23)c4ccccc4
5-(2′-methylbut-3′-en-1′-ol)indole
[H]C(C)(/C=C/c2ccc1[nH]ccc1c2)CC
dictamnine
484-29-7
incanine
480-77-3
C[C@H]1[C@H](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)C(C)C
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
nigelladine A
CC2=CC(C)(C)N=C3C[C@@]1(C)CC(=O)C(C(C)C)=CC1=C23
corydaline
518-69-4
C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
gelsemine
509-15-9
C=CC14CN(C)CC1C3(C(=O)Nc2ccccc23)C5CC4CCO5
4-methoxy-5-hydroxycanthin-6-one
18110-86-6
atropine
51-55-8
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
florosenine
16958-30-8
C[C@@H]1CC2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C
glaucine
475-81-0
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
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
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
seneciphylline
480-81-9
C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O
magnoflorine
2141-09-5
C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
N-demethylarmepavine
COc3cc2CCN[C@H](Cc1ccc(O)cc1)c2cc3OC
indigo
482-89-3
#N/A
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
3-acetyl lycopsamine
CC(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
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
corynoloxine
31470-65-2
C[C@@]12[C@H]3C4=CC5=C(C=C4CC1O[C@H](N3C)C6=C2C=CC7=C6OCO7)OCO5
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
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
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
indirubin
479-41-4
#N/A
C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O
3,7-diacetyl lycopsamine
CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(C)=O)C12)C(C)C
acetylcephalotaxine
24274-60-0
COC5=C[C@]14CCCN1CCc3cc2OCOc2cc3[C@@H]4[C@@H]5OC(C)=O
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
1H-imidazole-2-carboxylic acid, butyl ester
CCCCOC(=O)c1ncc[nH]1
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
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
ancistrobertsonines B
COc2cc(OC)c1c(C[C@H](C)N(C)[C@@H]1C)c2c3c(C)cc(OC)c4c(OC)cccc34
O-nornuciferin
3153-55-7
COc2c(O)cc3CCN(C)[C@@H]4Cc1ccccc1c2c34
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
dehydrocorydaline
30045-16-0
CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
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
guanfu base AA
C=C3CC24CC6C1[C@@]7(C)C[C@H](O)CC15C2[C@H](O)C3C(O)[C@]4(O)C5N6C7
epi-wilsonine
39024-12-9
CO[C@@H]1C[C@]23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC
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
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
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
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
5-[methyl-4′-(2′-methyl-4-oxobutanoate)]indole
[H]C(C)(CC(=O)c2ccc1[nH]ccc1c2)C(=O)OC
7-prenylindole
C/C(C)=C\Cc1cccc2cc[nH]c12
evocarpine
15266-38-3
CCCC/C=C\CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
methylnigakinone
18110-87-7
N-benzoyl-12-demethoxycylindrocarine
[H][C@]13CC[C@@]6(CC(=O)OC)CCCN5CC[C@@]1(c2ccccc2N3C(=O)c4ccccc4)[C@@]56[H]
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
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
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
picraline
2671-32-1
CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC
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
daurisolin
70553-76-3
COc6cc5CCN(C)[C@H](Cc4ccc(O)c(Oc3ccc(C[C@@H]2c1cc(OC)c(OC)cc1CCN2C)cc3)c4)c5cc6O
8-hydroxylysergic acid amide
CN1C[C@@](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)(C(=O)N)O
5-[4-(methoxymethyl)furan-2-yl]indole
COCc3coc(c2ccc1[nH]ccc1c2)c3
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
dehydrocavidine
83218-34-2
C[C@@H]1[C@@H]2C3=CC(=C(C=C3C=CN2CC4=C1C=CC5=C4OCO5)OC)OC
evodiamine
518-17-2
CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
oxysophocarpine
26904-64-3
C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2[N@@+](C1)(CCC4)[O-]
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
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
methyllycaconitine
21019-30-7
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
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
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
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
piperin
94-62-2
C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
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
caffeine
58-08-2
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
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
N,N-dimethyllindicarpin
COc3ccc2CC4c1c(cc(O)c(OC)c1c2c3O)CC[N+]4(C)C
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
nigelladine C
CC1=CC(N=C2C1=CC3=C(C(=O)C[C@]3(C2)C(C)C)C)(C)C
3-methylcanthin-2,6-dione
82652-21-9
pseudocolumbamine
64191-04-4
coptisine
3486-66-6
#N/A
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
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
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
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
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
sinoacutine
4090-18-0
CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
5-[4-(methyl)furan-2-yl]-indole
Cc3coc(c2ccc1[nH]ccc1c2)c3
lysergic acid amide
478-94-4
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
nordihydrocapsaicin
28789-35-7
cephalotaxine
24316-19-6
COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
indole-5-carbaldehyde
1196-69-6
capsaicin
404-86-4
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
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
geissoschizone
CC[C@@H]1CN2CC[C@@]34C2CC1[C@H]5C3N(COC5)C6=CC=CC=C46
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
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
rupestine
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
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
yunaconitine
70578-24-4
spilanthol
25394-57-4
C/C=C/C=C\CC/C=C/C(=O)NCC(C)C
plumbagin
481-42-5
#N/A
CC1=CC(=O)C2=C(C1=O)C=CC=C2O
voachalotine
664-25-5
C/C=C\1/CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC
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
stepharine
2810-21-1
iso-vaforhizin
C/C(C)=C/CC(O)c4cc(=O)c3c(O)c(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)cc(O)c3c4=O
dehydropiperoleine A
O=C(/C=C/CC/C=C/c2ccc1OCOc1c2)N3CCCCC3
hydroxy-α-sanshool
83883-10-7
C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)O
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
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
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
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
hydroxy-ε-sanshool
78886-66-5
C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
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
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
Piperolein A
30505-92-1
C1CCN(CC1)C(=O)CCCC/C=C/C2=CC3=C(C=C2)OCO3
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
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-]
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
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
retrofractamide-C
96386-33-3
CC(C)CNC(=O)/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2
chrysophanol
481-74-3
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
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
worenine
38763-29-0
pipernonaline
88660-10-0
C1CCN(CC1)C(=O)/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3
anthrone
90-44-8
(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
dehydropipernonaline
107584-38-3
C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3
ß-hydroxyisovalerylalkannin
C/C(C)=C\C[C@H](OC(=O)C(O)C(C)C)c2cc(=O)c1c(O)ccc(O)c1c2=O
verticillatine B
alkannin
517-88-4
CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
(2E,4E,12Z)-N-isobutyl-octadecatrienamide
151391-69-4
CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCC(C)C
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
mamegakinone
17734-93-9
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
iso-vaforhizin isobutyrate
C/C(C)=C/CC(OC(=O)C(C)C)c4cc(=O)c3c(O)c(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)cc(O)c3c4=O
7-methyljuglone
14787-38-3
deoxyalkannin
43043-74-9
[H][C@@H](C/C=C(C)/C)c2cc(=O)c1c(O)ccc(O)c1c2=O
β,β-Dimethylacryl-shikonin
24502-79-2
C/C(C)=C\C[C@@H](OC(=O)/C=C(C)/C)c2cc(=O)c1c(O)ccc(O)c1c2=O
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
anthraquinone
84-65-1
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
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
isovalerylalkannin
C/C(C)=C\C[C@H](OC(=O)CC(C)C)c2cc(=O)c1c(O)ccc(O)c1c2=O
sophocarpin
6483-15-4
O=C1C=CCC2C3CCCN4CCCC(CN12)C34
3a-hydroxy-3,3a,7,7a-tetrahydrobenzofuran-2,6-dione
55604-88-1
rhein
478-43-3
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
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
sophoramin
O=c2cccc1C3CCCN4CCCC(Cn12)C34
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
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
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
wilforine
11088-09-8
obtusin
70588-05-5
#N/A
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O
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
1-hydroxy-3-hydroxymethylanthraquinone
51995-90-5
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
(2E,6Z,8E)-N-(2-methylbutyl)-2,6,8-decatrienamide
CCC(C)CNC(=O)/C=C/CC/C=C\C=C\C
sinomenine
115-53-7
CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
vaforhizin isovalerate
C/C(C)=C/CC(OC(=O)CC(C)C)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
rutaecarpine
84-26-4
retrofractamide-A
94079-67-1
CC(C)CNC(=O)/C=C/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2
1-hydroxy-2-methylanthraquinone
6268-09-02T22:00:00.000Z
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
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
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
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
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
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
acetylshikonin
24502-78-1
CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
trans-fagaramide
495-86-3
CC(C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2
pelargonidin 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
isodiospyrin
20175-84-2
dodeca-2E,4E,8Z,10E/Z-tetraenoic acid isobutylamide
CC=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
aloin
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
1,2,6-trihydroxy-7,8-dimethoxy-3-methylanthraquinone
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
iso-vaforhizin isovalerate
C/C(C)=C/CC(OC(=O)CC(C)C)c4cc(=O)c3c(O)c(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)cc(O)c3c4=O
anthragallol-2-methylether
10383-63-8
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
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
mollugin
55481-88-4
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
tetrahydropalmatine
2934-97-6
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
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
vellosiminol
604-99-9
C/C=C/1\CN2[C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO
(2Z)-N-isobutyl-2-nonene-6,8-diynamide
C#CC#CCC/C=C/C(=O)NCC(C)C
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
aloe-emodin
481-72-1
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
vaforhizin β,β-dimethylacrylate
C/C(C)=C/CC(OC(=O)/C=C(C)/C)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
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
deoxylapachol
3568-90-9
(2E)-N-isobutyl-2-undecene-8,10-diynamide
C#CC#CCCCC/C=C/C(=O)NCC(C)C
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
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
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
6,7,3',4'-tetrahydroxy-5-methoxyflavylium
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
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
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
1,2,6,8-tetrahydroxy-7-methoxy-3-methyl-anthraquinone
1,2-dihydroxy-6,7,8-tri-methoxy-3-methylanthraquinone
90985-58-3
α-solanine
20562-02-1
isobutylshikonin
C/C(C)=C/C[C@@H](OCC(C)C)c2cc(=O)c1c(O)ccc(O)c1c2=O
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
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
6,7,4'-trihydroxy-5-methoxyflavylium
β,β-Dimethylacryl-alkannin
5162-01-05T22:00:00.000Z
C/C(C)=C\C[C@H](OC(=O)/C=C(C)/C)c2cc(=O)c1c(O)ccc(O)c1c2=O
dodeca-2E,4E-dienoic acid isobutylamid
24738-51-0
CCCCCCC/C=C/C=C/C(=O)NCC(C)C
alizarin-1-methylether
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
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
piperoleine B
30505-89-6
C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3
iso-vaforhizin β,β-dimethylacrylate
C/C(C)=C/CC(OC(=O)/C=C(C)/C)c4cc(=O)c3c(O)c(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)cc(O)c3c4=O
emodin
518-82-1
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
vaforhizin β-hydroxyisovalerate
C/C(C)=C/CC(OC(=O)C(O)C(C)C)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
vincamine
1617-90-9
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
epi-isoshinanolone
C[C@@H]1CC(=O)C2=C([C@H]1O)C=CC=C2O
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
hydroxy-β-sanshool
97465-69-5
C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)(C)O
iso-vaforhizin β-hydroxyisovalerate
C/C(C)=C/CC(OC(=O)C(O)C(C)C)c4cc(=O)c3c(O)c(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)cc(O)c3c4=O
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
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
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]
acetylalkannin
24502-78-1
C/C(C)=C\C[C@H](OC(C)=O)c2cc(=O)c1c(O)ccc(O)c1c2=O
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
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-]
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
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
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
delphinidin 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
tectoquinone
84-54-8
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
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
piperlonguminine
5950-12-08T22:00:00.000Z
CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
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
no individual anthraquinones named
deoxyvaforhizin
C/C(C)=C/CC(C)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
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
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
wilsonine
39024-12-9
CO[C@H]1C[C@]23C4=CC(=C(C=C4CCCN2C[C@@H]5[C@]3(O5)C=C1)OC)OC
dodeca-2E,4E-dienoic acid 2-methylbutylamide
CCCCCCC/C=C/C=C/C(=O)NCC(C)CC
pellitorine
18836-52-7
CCCCC/C=C/C=C/C(=O)NCC(C)C
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-]
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
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
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
pipercyclobutanamides A
[H][C@@]6(/C=C/c2ccc1OCOc1c2)[C@@]([H])(/C=C\C(=O)N3CCCCC3)[C@]([H])(c5ccc4OCOc4c5)[C@@]6([H])C(=O)N7CCCCC7
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
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
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
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
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
(2E,4E)-N-isobutyl-decadienamide
18836-52-7
CCCCC/C=C\C=C\C(=O)NCC(C)C
1-desmethylaurantio-obtusin
cyanidin-3-O-sambubioside
53925-33-0
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
vaforhizin acetate
C/C(C)=C/CC(OC(C)=O)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
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
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
ß-hydroxyisovalerylshikonin
C/C(C)=C\C[C@@H](OC(=O)C(O)C(C)C)c2cc(=O)c1c(O)ccc(O)c1c2=O
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
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
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
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
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
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
1-desmethylchryso-obtusin
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
vaforhizin isobutyrate
C/C(C)=C/CC(OC(=O)C(C)C)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
guineensine
55038-30-7
CC(C)CNC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2
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
1,2-dimethoxy-3-hydroxyanthraquinone
19852-76-7
(7Z,10Z,18Z)-tricosa-7,10,18-trienamide
CCCC/C=C\CCCCCC/C=C\C/C=C\CCCCCC(N)=O
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
rubiadin-1-methylether
7460-43-7
2,6-dihydroxy-1,7,8- trimethoxy-3-methylanthraquinone
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
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
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
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
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
dodeca-2E,4E,8Z-trienoic acid isobutylamide
CCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C
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
isobutylalkannin
C/C(C)=C/C[C@H](OCC(C)C)c2cc(=O)c1c(O)ccc(O)c1c2=O
2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone
70588-06-6
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
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
coriandrone A
139906-03-9
C[C@H]1CC2=CC(=C3C[C@H](OC3=C2C(=O)O1)C(C)(C)O)OC
4′,5′-dimethoxy-6,6-dimethylpyranoisoflavone
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
aesculetin
305-01-1
sarothralen B
peucenin
578-72-3
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
salfredin B11
165467-63-0
(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
(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
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
retrofractamide-B
54794-74-0
CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/C1=CC2=C(C=C1)OCO2
xanthotoxin
298-81-7
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
hinokiflavone
19202-36-9
N-isobutyl-2E,4E,12Z-octadecatrienamide
CCC/C=C\CCCCCCCC/C=C/C=C/C(=O)NCC(C)C
vaforhizin
C/C(C)=C/CC(O)c4cc(=O)c3c(O)cc(C(C/C=C(C)\C)c2cc(=O)c1c(O)ccc(O)c1c2=O)c(O)c3c4=O
xanthyletin
553-19-5
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
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
5-hydroxy-7,3′,4′-trimethoxyflavanone
qianhucoumarin D
CC(=O)O[C@H]3c1c(ccc2ccc(=O)oc12)OC(C)(C)[C@H]3OC(C)=O
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
isocryptomerin
20931-58-2
brazilin
474-07-7
C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O
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
isopsoralen
523-50-2
oxypeucedanin hydrate
2643-85-8
CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
6''-O-malonylgenistin
51011-05-3
O=C(O)CC(=O)OC[C@H]4O[C@@H](Oc3cc(O)c2c(=O)c(c1ccc(O)cc1)coc2c3)[C@H](O)[C@@H](O)[C@@H]4O
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
3',4',7-trimethoxyquercetin
6068-80-0
psoralidin
18642-23-4
6-methoxyapigenin-7-O-β-D-allopyranoside
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
3-deoxysappanone B
113122-54-6
(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
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
8-prenyldaidzein
135384-00-8
bolusanthol B
(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
isoimperatorin
482-45-1
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
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
physcion
521-61-9
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
3'-deoxysappanol
C1[C@@]([C@H](C2=C(O1)C=C(C=C2)O)O)(CC3=CC=C(C=C3)O)O
(+)-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
phellopterin
2543-94-4
5-(3-buten-1-ynyl)-2,2'-bithienyl
1134-61-8
tetrahydroanthracene
30551-09-8
(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
cajanin
32884-36-9
divaricatol
CC(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C
(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
(5-((S)-2′-oxo-4′-hydroxypentyl)-2-hydroxymethylchromone
C[C@H](O)CC(=O)Cc1cccc2oc(CO)cc(=O)c12
isofraxidin
486-21-5
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
6,7-dimethoxycoumarin
120-08-1
5-hydroxyaloin
138373-23-6
5,7-dihydroxy-6-(3-methybut-2-enyl)-isobenzofuran-1(3H)-one
herniarin
531-59-9
COC1=CC2=C(C=C1)C=CC(=O)O2
apocynin
498-02-2
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
5-hydroxy-6,7,8,3′,4′-pentamethoxyflavone
2174-59-6
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
chrysotobibenzyl
108853-09-4
psoralen
66-97-7
pimpinellin
131-12-4
5-hydroxyl-7,3’,4’-trimethoxyflavone
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
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
5-(3-penten-1-ynyl)-2,2'-bithienyl
(6aR,11aR)-9,10-di-methoxypterocarpan-3-O-β-D-glucopyranoside
COc5ccc3c(OC4c2ccc(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)cc2OCC34)c5OC
6-aldehydo-isoophiopogonone A
112500-90-0
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
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
4-sulfophthalic acid
1989-08-06T22:00:00.000Z
(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
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
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
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
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
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
erianin
95041-90-0
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
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
paepalantine
133740-20-2
alpinetin
36052-37-6
COC1=CC(=CC2=C1C(=O)C[C@H](O2)C3=CC=CC=C3)O
apigenin-diglucoside
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4C(C([C@@H]([C@@H](O4)CO)O)O)O)O)O[C@H]5C(C([C@@H](C(O5)CO)O)O)O
ostruthin
148-83-4
CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C
2,4-dihydroxyacetophenone
89-84-9
5,4′-dihydroxy-3,7,3′-trimethoxyflavone
33708-72-4
(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
sarothalin G
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
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
(E)-4-(3′,4′-dimethoxyphenyl)but-3-enyl acetate
CC(=O)OCC/C=C/C1=CC(=C(C=C1)OC)OC
3-sulfophthalic acid
67892-43-7
(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
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
3-hydroxylgenkwanin
20243-59-8
imperatorin
482-44-0
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
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
coriandrin
116408-80-1
α-asarone
2883-98-9
C/C=C/C1=CC(=C(C=C1OC)OC)OC
4′-O-methyl-robustaflavone
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
cajaflavanone
ledebouriellol
C/C=C(/C)\C(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C
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
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
alsaticocoumarin A
CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C/C=C/C(C)(C)O
3,3′-di-O-methylquercetin
4382-17-6
ginkgotoxin
1464-33-1
#N/A
CC1=NC=C(C(=C1O)COC)CO
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
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
cardamomin
19309-14-9
COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2
acetylptaeroxylinol
5-((4E)-2′-oxo-pentenyl)-2-hydroxymethylchromone
C/C=C/C(=O)CC1=C2C(=CC=C1)OC(=CC2=O)CO
fraxetin
574-84-5
5,7,4'-trihydroxy-8-(2-hydroxy-3-methylbutenyl)-flavanone
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
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
artemetin
479-90-3
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
(+)-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
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
desmethylxanthohumol
115063-39-3
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
baicalein
491-67-8
#N/A
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
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
5-hydroxy-6,7,8,3',4',5'-hexamethoxyflavone
21187-73-5
5-hydroxy -6,7,8,3',4'-pentamethoxyflavone
2174-59-6
7-methoxy-daphnoretin
3749-38-0
5-demethylnobiletin
2174-59-6
qianhucoumarin J
C/C=C(C)\C(=O)O[C@H]3[C@@H](OC(=O)CC)c1c(ccc2ccc(=O)oc12)OC3(C)C
daphnetin
486-35-1
4′,5-dihydroxy-3′,7-dimethoxyflavanone
66568-98-7
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
6-methoxyluteolin-7-O-β-D-allopyranoside
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
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
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
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
sarothialen A
96624-40-7
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
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
4-hydroxyacetophenone
99-93-4
5,6,7,4'-tetrahydroxyflavone
529-53-3
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
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
Z-ostruthol
C/C=C(C)\C(=O)OC(COc2c1ccoc1cc3oc(=O)ccc23)C(C)(C)C
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
apigenin
520-36-5
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
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
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
prenyletin
15870-91-4
coriandrone B
139906-04-0
C[C@H]1CC2=CC(=C3C[C@H](C(OC3=C2C(=O)O1)(C)C)O)OC
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
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
alsaticol
CC1C(O1)(C)C(=O)O[C@H]2CC3=C(C=C4C(=C3O)C(=O)C=C(O4)CO)OC2(C)C
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
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
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
7,4′,7″,4″′-tetra-O-methyl-amentoflavone
22783-08-0
(-)-13aR-antofine
32671-82-2
C=1C2=C(C=C(C1OC)OC)C=3C=C(C=CC3C4=C2C[C@]5(CCCN5C4)[H])OC
dihydrocoriandrin
116383-99-4
(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
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
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
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
3'-hydroxygenkwanin
20243-59-8
scopoletin
92-61-5
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
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
daphnoretin
2034-69-7
COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O
robustaflavone
49620-13-5
6,8-diprenylgenistein
51225-28-6
aloenin aglycone
59163-53-0
cimifugin
37921-38-3
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O
decursitin C
245446-61-1
C/C=C(C)\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@@H]3O
5,6,7,8,4'-pentamethoxyflavone
112448-39-2
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
coumarin
91-64-5
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
5-hydroxy-6,7,3',4'-tetramethoxyflavone
21763-80-4
(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
5-hydroxyl-7,4′-dimethoxyflavone
5128-44-9
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
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
Pd-D-V
C/C=C(C)\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@H]3OC(C)=O
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
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
(E)-4-(3′,4′-dimethoxyphenyl)but-1,3-diene
56633-34-2
C=C/C=C/c1ccc(OC)c(OC)c1
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
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
luvangetin
483-92-1
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
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
5,7-dihydroxy-3',4'-trihydroxyflavone-3-O-6"-rhamnose
17912-87-7
kaempferol
520-18-3
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
quercetin
117-39-5
#N/A
#N/A
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
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
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
isosinensetin
17290-70-9
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
4-O-methylalpinumisoflavone
27762-87-4
3-hydroxygenkwanin
20243-59-8
isosilybinin
72581-71-6
15-O-palmitoylisocupressic acid
C=C2CCC1[C@](C)(C(=O)O)CCC[C@]1(C)[C@H]2CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCC
sulfuretin
120-05-8
C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O
5,7,3',4',5'-pentamethoxyflavone
Pd-Ib
78416-90-7
C/C=C(/C)\C(=O)OC1C(=O)C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
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
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
5-hydroxy-6,7,8,3',4'-pentamethoxyflavone
2174-59-6
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
Pd-C-IV
C/C(C)=C\C(=O)O[C@@H]3c2cc1ccc(=O)oc1cc2OC(C)(C)[C@H]3OC(C)=O
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
barbigerone
75425-27-3
schisanhanol acetate
COc3cc2C[C@@H](C)[C@@H](C)Cc1cc(OC)c(OC)c(OC(C)=O)c1c2c(OC)c3OC
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
mongolicumin A
isorhamnetin
480-19-3
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
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
(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
orotinin-5-methyl ether
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
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
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
(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
5,7-dihydroxy-3',4'-dihydroxyflavone-3-O-6"-rhamnose
522-12-3
β-asarone
5273-86-9
C/C=C\C1=CC(=C(C=C1OC)OC)OC
notoptol
88206-49-9
C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C/C=C/C(C)(C)O
agrimonolide
21499-24-1
COC1=CC=C(C=C1)CC[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2
bavachinin
19879-30-2
CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C
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
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
sinigrin
64550-88-5
C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O
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
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
homoeriodictyol
446-71-9
COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
butein
487-52-5
C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O
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
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
6-formyl-isoophiopogonanone A
116291-82-8
(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
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
daidzein
486-66-8
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
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
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
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
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
chrysin
480-40-0
bergapten
484-20-8
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
burchellin
38276-59-4
CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C=C3)OCO4
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
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
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
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
syringetin-3-(Ac)-glucoside
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
myricetin-3-O-hexoside
15648-86-9
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
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
isoangustone A
129280-34-8
dihydrokavain
587-63-3
COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2
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
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
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
scoparone
120-08-1
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
5-hydroxy-3,7,3',4′-tetramethoxyflavone
1245-15-4
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
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
butin
492-14-8
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
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
umbelliferone
93-35-6
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
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
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
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
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
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
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
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
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
baishouwubenzophenone
115834-34-9
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
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
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
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
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
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
isosilybin
72581-71-6
6,8-diprenylorobol
66777-70-6
oxypeucedanin
737-52-0
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
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
isopimpinellin
482-27-9
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
nevadensin
152743-19-6
canelin
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
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
5,7,4'-trihydroxy-6,3',5'-trimethoxyisoflavone
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
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
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
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
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
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
5-hydroxyl-7,3′,4′-trimethoxyflavone
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
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
5-hydroxyl-7,4’-dimethoxyflavone
5128-44-9
α-terthienyl
1081-34-1
calycosin
20575-57-9
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
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
nodakenetin
495-32-9
CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
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
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
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
glycitein
40957-83-3
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
hispidulin
1447-88-7
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
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
parvisoflavone A
50277-01-5
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
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
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
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
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
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
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
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
chrysoeriol
491-71-4
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
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
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
eriophorin A
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
irisflorentin
41743-73-1
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
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
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
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
eriodictyol
4049-38-1
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
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
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
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
yangonin
500-62-9
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC
isorhamnetin-3-sulphate
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
luteolin
491-70-03
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
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
masso lactones C-12
152398-49-7
CCCCCCC[C@@H]1CC=CC(=O)O1
deoxyschizandrin
61281-38-7
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
genistein
446-72-0
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
dihydromethysticin
19902-91-1
COC1=CC(=O)O[C@H](C1)CCC2=CC3=C(C=C2)OCO3
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
prenylflavonoids
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
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
methysticin
495-85-2
COC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3
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
schisandrin
7432-28-2
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
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
nepetin
520-11-6
dehydroglyasperin D
517885-72-2
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
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
eriophorin C
deoxyschisandrin
61281-38-7
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
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
quercetin-3-O-hexoside
482-35-9
pinocembrin
480-39-7
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
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
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
formononetin
485-72-3
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
isoxanthohumol
521-48-2
tetramethyl-o-scutellarein
1168-42-9
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
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
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
matairesinol
580-72-3
COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O
tetrapterol I
CC(=CCC1=CC2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3)O)CC=C(C)C)C
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
eupatilin (5,7-dihydroxy-6,3′,4′-trimethoxyflavone)
22368-21-4
inflacoumarin A
C/C(C)=C\Cc3cc2c(c1ccc(O)cc1)cc(=O)oc2cc3O
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
eriophorin B
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
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
irigenin
548-76-5
COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
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
isoirigenin
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
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
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
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
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
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
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
schizandrin
7432-28-2
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
linoleic acid
60-33-3
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
CCCCCC=CCC=CCCCCCCCC(=O)O
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
acuminatolide
108645-28-9
C1[C@H]2[C@H](CO[C@H]2C3=CC4=C(C=C3)OCO4)C(=O)O1
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
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
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
neobavaisoflavone
41060-15-5
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
luteolin-7-O-glucoside
5373-11-5 5373-11-5 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
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
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
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
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
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
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
kaempherol
520-18-3
Z-ligustilide
4431-01-0
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
desmethoxyyangonin
15345-89-8
COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2
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]
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
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
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
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
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
no compound names given
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
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
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
schisanhanol
69363-14-0
COc3cc2C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1c2c(O)c3OC
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
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
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
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
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
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
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
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
nobiletin
478-01-3
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
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
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
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
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
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
tricin
520-32-1
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
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
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
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
wogonin
32-85-9
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
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
masso lactone C-14
CCCCCCCCC[C@@H]1CC=CC(=O)O1
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
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
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
podocarpusflavone A
22136-74-9
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
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
orotinin
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
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
naringenin
67604-48-2
#N/A
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
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
dehydroglyasperin C
199331-35-6
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
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
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
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
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
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
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
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
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
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
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
linolenic acid
463-40-1
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
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
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
genkwanin-4'-methyl ether
5128-44-9
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
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
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
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
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
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
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
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]
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
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
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
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
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
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
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
methylophiopogonanone A
74805-92-8
CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C)O
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
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
rufescidride
C1=CC(=C2C3=C1C=C4C(=C(OC4=O)O)C3=C5C=C(C(=O)C=C5O2)O)O
dichtomitin
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
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
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
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
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
parvisoflavone B
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
heveaflavone
23132-13-0
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
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
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
kavain
500-64-1
COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2
irilin D
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
hinokinin
26543-89-5
C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
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
sinensetin
2306-27-6
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
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
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
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
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
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
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
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
liquiritigenin
578-86-9
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
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
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
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
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
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
quercetin-3-O-α-L-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
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
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
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
fisetin
528-48-3
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
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
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
5,7-dihydroxychromen-4-one
31721-94-5
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
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
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
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
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
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]
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
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
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
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
licoagrochalcone B
325144-67-0
CC1(C=CC2=C(O1)C=CC(=C2OC)/C=C/C(=O)C3=CC=C(C=C3)O)C
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
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
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
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
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
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
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
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
irisfloretin
41743-73-1
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
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
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
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
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
isobavachalcone
20784-50-3
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
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
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
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
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
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
GB-1
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
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
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
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
isoorientin-7,3'-dimethyl ether
74198-15-5
casticin
479-91-4
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
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
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
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
9-hydroxysesamin
63427-86-1
C1C2C([C@@H](OC2C3=CC4=C(C=C3)OCO4)O)C(O1)C5=CC6=C(C=C5)OCO6
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
senkyunolide A
63038-10-8
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
isoliquiritigenin
961-29-5
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
puerarin-xyloside
C1[C@H]([C@@H]([C@H]([C@H](O1)OC2=C(C3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
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
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
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
kolaflavonone
COc6ccc(C1Oc2c(C(=O)C1O)c(O)cc(O)c2c5c(c3ccc(O)cc3)oc4cc(O)cc(O)c4c5=O)cc6
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
cirsiliol
34334-69-5
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
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
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
genkwanin
437-64-9
#N/A
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
schisandrol B
58546-54-6
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3
chrysosptertin B
603-56-5
COc3cc(c2oc1cc(OC)c(OC)c(O)c1c(=O)c2OC)ccc3O
sulforaphane
4478-93-7
CS(=O)CCCCN=C=S
hesperetin
520-33-2
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
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
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
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
oroxylin A
480-11-5
#N/A
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O
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
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
phloretin
60-82-2
#N/A
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
palmitic acids
57-10-3
CCCCCCCCCCCCCCCC(=O)O
falcarindiol
225110-25-8
CCCCCCCC=CC(C#CC#CC(C=C)O)O
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
jaceosidin; (5,7,4′-trihydroxy-6,3′-dimethoxyflavone)
18085-97-7
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
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+]
masso lactone C-10
54814-64-1
CCCCCC1CC=CC(=O)O1
myricetin
529-44-2
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
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
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
danshenxinkun A
121064-74-2
hexa-O-galloylglucose
caffeic acid
331-39-5
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
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
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
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
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
cannabigerol
25654-31-3
CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O
1,2,3,4,6-trigalloyl-β-D-glucose
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
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
corosolic ac
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
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
artemorin
64845-92-7
C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2
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
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
danshenxinkun B
65907-76-8
(-)-epicatechin gallate-(4β→6)-(-)-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
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
hirsutenone
41137-87-5
C1=CC(=C(C=C1CCC=CC(=O)CCC2=CC(=C(C=C2)O)O)O)O
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
methyl gallate
99-24-1
#N/A
COC(=O)C1=CC(=C(C(=C1)O)O)O
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
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
(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
stearic acid
57-11-4
#N/A
CCCCCCCCCCCCCCCCCC(=O)O
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
woonenoside XI
180580-73-8
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
palmitic stearic acids
67701-03-5
CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
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
julibroside J5 a and J5
dihydrotanshinone I
87205-99-0
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C
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
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
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
2,3-di-O-isoferuloyltartaric acid
303-38-8
COc2ccc(/C=C/C(=O)OC(C(=O)O)C(OC(=O)/C=C/c1ccc(OC)c(O)c1)C(=O)O)cc2O
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
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
tyrosol
501-94-0
C1=CC(=CC=C1CCO)O
C1=CC(=CC=C1CCO)O
triacetyl soyasaponin γg (conjugated group)
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
3,3′-dimethoxy ellagic acid
2239-88-5
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
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
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)
6a,12a-dehydrodeguelin
syringalide A 3'-α-L-rhamnopyranoside
84213-44-5
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
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
androsin
531-28-2
CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
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
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
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
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
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
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
cuminaldehyde
122-03-2
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
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
5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic 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
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
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
curzerene
17910-09-7
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
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
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
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
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
4H-tomentosin
C[C@H]1C[C@@H]2[C@H](CC=C1CCC(C)O)C(=C)C(=O)O2
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
E-butylidenephthalide
76681-73-7
CCC/C=C/1\C2=CC=CC=C2C(=O)O1
triacetyl soyasaponin αg (conjugated group)
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
3,4-dihydroxyphenyllactic acid
23028-17-3
C1=CC(=C(C=C1CC(C(=O)O)O)O)O
atractylon
6989-21-5
CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C
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
(−)-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
palmitic acid
57-10-3
#N/A
CCCCCCCCCCCCCCCC(=O)O
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
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
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
3-O-caffeoylquinic acid
588-30-7
C1=CC(=CC(=C1)O)/C=C/C(=O)O
2,4-dihydroxybenzoic acid
89-86-1
C1=CC(=C(C=C1O)O)C(=O)O
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
dodecyl acetate
112-66-3
CCCCCCCCCCCCOC(=O)C
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
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
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
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
2,6-dihydroxybenzoic acid
303-07-1
C1=CC(=C(C(=C1)O)C(=O)O)O
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
E-3,4-dimethoxy-α(3-hydroxy-4-carbomethoxyphenyl)-cinnamic acid
256459-34-4
COC(=O)c2ccc(/C(=C\c1ccc(OC)c(OC)c1)C(=O)O)cc2O
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
foeniculin
78259-41-3
C/C=C/C1=CC=C(C=C1)OCC=C(C)C
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
suillin
103538-03-0
CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1O)O)OC(=O)C)C)C)C)C
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
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
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
calcedarioside 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
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
benzyl salicylate
118-58-1
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
picein
27208-80-6
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
(-)-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
3,5-dihydroxy-6,7-megastigmadien-9-one-5-O-β-D-glucopyranoside
120330-44-1
gentisic acid
490-79-9
C1=CC(=C(C=C1O)C(=O)O)O
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
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
rhapontigenin
500-65-2
COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O
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
(-)-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
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
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
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
plumbagic acid
501-98-4
C[C@H](CC(=O)O)C(=O)C1=C(C(=CC=C1)O)O
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
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
coniferyl ferulate
63644-62-2
COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
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
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
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
clinopodiside A
142809-89-0
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
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
acyloligosaccharide linked betacyanin 1-6
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
4-O-caffeoyl-muco-γ-quinide
99-96-7
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
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
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
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
sedanenolide
63038-10-8
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
(-)-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
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
(S)-dehydrovomifoliol
15764-81-5
CC1=CC(=O)CC([C@]1(/C=C/C(=O)C)O)(C)C
11,13-dihydroparthenolide
C[C@H]1[C@@H]2CC/C(=C/CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C)/C
atractylenolide III
73030-71-4
CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C
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
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
(E)-butylidene phthalide
76681-73-7
CCC/C=C/1\C2=CC=CC=C2C(=O)O1
2-(4-hydroxyphenyl)-ethyl-O-β-D-glucopyranosyl-6-O-β-D-glucopyranoside
#N/A
#N/A
#N/A
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)
1,7-diphenyl-4E-en-3-heptanone
79559-59-4
C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2
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
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
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
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
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
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
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
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
(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
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
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
carnosaldehyde
CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C=O)O)O
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
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
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
tetrahydrocannabinol
1972-08-02T22:00:00.000Z
CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O
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
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
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
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
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
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
5-hydroxymethyl-furancarboxaldehyde
67-47-0
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
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
epigallocatechin
970-74-1
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
(+)-catechin
154-23-4
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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
(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
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
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
(S)-3,7-dimethyl-5-octene-1,7-diol
1740-94-9
C[C@H](CCO)C/C=C/C(C)(C)O
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
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
3-hydroxycinnamic acid
588-30-7
C1=CC(=CC(=C1)O)/C=C/C(=O)O
galacturonic acid
25990-10-7
C1(C(C(OC(C1O)O)C(=O)O)O)O
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
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
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
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
isomenthon
18309-28-9
C[C@H]1CC[C@H](C(=O)C1)C(C)C
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
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
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
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
pabulenol
33889-70-2
CC(=C)[C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O
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
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
3,3′-di-O-methyl-4-O-(β-D-xylopyranosyl)-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
vanillic acid
121-34-6
#N/A
COC1=C(C=CC(=C1)C(=O)O)O
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
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
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
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
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
oleic acid
112-80-1
CCCCCCCC/C=C\CCCCCCCC(=O)O
CCCCCCCCC=CCCCCCCCC(=O)O
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
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
2,3,5,4'-tetrahydroxystibene-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
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
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
biphenoside
O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2c(O)cc(O)cc2c3cccc(O)c3
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
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
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
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)
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
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
resveratroloside
38963-95-0
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
dehydrocostuslactone
477-43-0
C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C
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
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
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
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
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
punicalin
65995-64-4
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
ellagic acid
476-66-4
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
1,7-diphenyl-4,6-heptadien-3-one
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
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
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
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
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
falcarinol
21852-80-2
CCCCCCCC=CCC#CC#CC(C=C)O
(+)-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
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]
caryophyllene
87-44-5
C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
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
swertiabisxanthone-I
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
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
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
E-ligustilide
81944-09-4
CCC/C=C/1\C2=C(C=CCC2)C(=O)O1
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
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
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
N-Dinitrophenyl-ß-Alanine
3185-97-5
OC(=O)CCNc1ccc(cc1N(=O)=O)N(=O)=O
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
desoxyrhaponticin
30197-14-9
COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O
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
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
(+)-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
cinnamic acid
140-10-3
C1=CC=C(C=C1)/C=C/C(=O)O
3,4-dihydroxybenzoic acid
99-50-3
C1=CC(=C(C=C1C(=O)O)O)O
BR64 sorghum tannin
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
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
series of betacyanins
tartaric acid
87-69-4
C(C(C(=O)O)O)(C(=O)O)O
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
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
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
n-butylidenephthalide
72917-31-8
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
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
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
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
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]
safflower B
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
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
salicylamide
65-45-2
C1=CC=C(C(=C1)C(=O)N)O
(−)-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
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
piceatannol 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
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
3-O-β-D-galactopyranosyl-(1→2)-β-D-xylopyranosyl-(1→3)]-β-D-glucuronopyranosyl gypsogenin
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
cryptotanshinone
35825-57-1
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
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
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
(-)-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
Z-butylidenephthalide
551-08-6
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
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
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
epirosmanol
93380-12-2
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
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
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
(+)-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
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
10-gingerol
23513-15-7
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
benzyl benzoate
120-51-4
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
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
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
anhydroverlotorin
C/C/1=C\[C@@H]2[C@@H](CCC(=C)C(=O)CC1)C(=C)C(=O)O2
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
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
1,2,15,16-tetrahydrotanshiquinone
126979-84-8
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
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
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
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
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
desacetylnimbin
18609-16-0
limoniastramide
490-79-9
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
4-hydroxybenzoic acid
99-96-7
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
1-O-feruloylglycerol
120601-69-6
COC1=C(C=CC(=C1)/C=C/C(=O)OCC(CO)O)O
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
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
nardoxide
C[C@@H]1CC(=O)C2=C1[C@H]([C@@]3(CC[C@]2(O3)C)C(C)C)O
3',5,5',7-tetrahydroxyflavanonol
C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
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
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
fertaric acid
476-66-4
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
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
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
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
caffeic acids
331-39-5
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
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
tri-O-galloylglucose
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
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
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
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
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
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
glucuronic acid
528-16-5
C1(C(C(OC(C1O)O)C(=O)O)O)O
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
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
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
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
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
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
dracorhodin
643-56-1
CC1=C(C2=CC=C(OC2=CC1=O)C3=CC=CC=C3)OC
triacetyl soyasaponin βg (conjugated group)
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
sparganiaside A
154461-65-1
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
lucyoside Q
183294-29-3
protocatechuic acid
99-50-3
C1=CC(=C(C=C1C(=O)O)O)O
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
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
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
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
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
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
(-)-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
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
butylphthalide
6066-49-5
CCCCC1C2=CC=CC=C2C(=O)O1
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
curcumol
4871-97-0
C[C@H]1CC[C@@H]2[C@]13C[C@H]([C@](O3)(CC2=C)O)C(C)C
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
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
ptaerobliquol
CC1(C2CCC3(C2C1C4=C(O3)C=C(C5=C4OC(=CC5=O)CO)O)C)C
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
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
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
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
4,5-O-dicaffeoylquinic acid
89886-30-6
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
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
galactolipids - different types
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
8-gingerol
23513-08-8
CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
nudol
86630-46-8
COC1=C(C=C2C=CC3=C(C2=C1OC)C=CC(=C3)O)O
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
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
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
pogostone
23800-56-8
CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O
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
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
germacrone
6902-91-6
C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
(−)-epicatechin
490-46-0
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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
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
epicatechin
17334-50-8
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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
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
demethoxycurcumin
24939-17-1
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
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
senkyunolide-I
94596-28-8
CCC/C=C\1/C2=C([C@@H]([C@H](CC2)O)O)C(=O)O1
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
chavibetol
501-19-9
1-[2',4'-dihydroxy-3',5'-di-(3"-methylbut-2"-enyl)-6'-methoxy]phenylethanone
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
2-hydroxycinnamic acid
614-60-8
C1=CC=C(C(=C1)C=CC(=O)O)O
dihydrotanshinone
87205-99-0
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
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
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
succinic acid
110-15-6
C(CC(=O)O)C(=O)O
(-)-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
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
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
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
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
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
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
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
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
(-)-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
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
anethole
104-46-1
C/C=C/C1=CC=C(C=C1)OC
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
tannins (mixture), none identified
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
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
3β-hydroxycostunolide
C=C1C(=O)O[C@@H]2/C=C(C)/[C@@H](O)C/C=C(C)/CC[C@@H]12
noniosides E-H: 2,6-di-O-(β-D-glucopyranosyl)-1-O-hexanoyl-β-D-glucopyranose
(-)-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
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
ginsenoside Rg
59252-86-7
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
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
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
safflower A
153-18-4
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)O)O)O)O)O)O)O
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
(-)-epicatechin
17334-50-8
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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
hypolide
74285-86-2
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O
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
(+)-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
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
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
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
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
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
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
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
resveratrol
#N/A
#N/A
#N/A
(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
3-ketodehydrosulphurenic
hydroxytyrosol
10597-60-1
C1=CC(=C(C=C1CCO)O)O
C1=CC(=C(C=C1CCO)O)O
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
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
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
dimethylphthalate
131-11-3
COC(=O)C1=CC=CC=C1C(=O)OC
arganine A
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
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
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
triacetyl soyasaponin Be
2,4,7-trihydroxy-9,10-di-hydrophenanthrene
70205-52-6
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
(-)-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
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
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
5-hydroxymethylfurfural
67-47-0
series of saponariosides
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
2-0-(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
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
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
fumaric acid
110-17-8
C(=CC(=O)O)C(=O)O
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
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
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
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
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
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
esibufogenin
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
sedanolide
6415-59-4
CCCCC1C2CCCC=C2C(=O)O1
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
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
methylenetanshiquinone
67656-29-5
p-coumaric acid
501-98-4
C1=CC(=CC=C1/C=C/C(=O)O)O
C1=CC(=CC=C1C=CC(=O)O)O
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
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
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
cannabigerolic acid
25555-57-1
CCCCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCC=C(C)C)O
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
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
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
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
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
polyalthic acid
1235-76-3
C[C@@]12CCC[C@]([C@H]1CCC(=C)[C@H]2CCC3=COC=C3)(C)C(=O)O
cannabinol
521-35-7
(-)-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
costunolide diepoxide
C[C@@]12CC[C@@H]3[C@@H]([C@@H]4[C@@](O4)(CC[C@@H]1O2)C)OC(=O)C3=C
trans-resveratrol
501-36-0
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
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
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
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
p-hydroxylcinnamic acid
501-98-4
C1=CC(=CC=C1/C=C/C(=O)O)O
4-hydroxy benzoic acid
99-96-7
C1=CC(=CC=C1C(=O)O)O
erionic acid B
CC(CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C(=O)O)C(=O)C=CC(C)(C)O
(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
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
arganine D
erionic acid A
CC(CCC1=C(C(=CC(=C1)C(=O)O)CC=C(C)CO)O)C(=O)C=CC(C)(C)O
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
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
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
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
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
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
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
salicylic acid
69-72-7
C1=CC=C(C(=C1)C(=O)O)O
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
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
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
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
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
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
curdione
13657-68-6
C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C
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
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
2β,3β,4β-trihydroxypregnan-16-one
CC[C@H]3C(=O)CC4C2CCC1C(O)C(O)C(O)C[C@]1(C)C2CC[C@]34C
3-n-butylphthalide
6066-49-5
CCCCC1C2=CC=CC=C2C(=O)O1
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
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
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
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
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
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
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
p-anisaldehyde
123-11-5
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
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-]
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]
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
hexachlorobenzene
118-74-1
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
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
pulegone
89-82-7
C[C@@H]1CCC(=C(C)C)C(=O)C1
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
no name of compounds are given
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
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
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
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
2-O-caffeoyl-3-O-feruloyltartaric acid
614-60-8
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
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
(+)-ferruginol
514-62-5
CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
20-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
1,8-cineole
470-82-6
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
gallocatechin-3-O-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
fructose
57-48-7
C1C(C(C(C(O1)(CO)O)O)O)O
bisdemethoxycurcumin
33171-05-0
C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
l-hydroxy-2,3,4,5-tetramethoxyxanthone
22961-79-1
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
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
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
licocoumarone
118524-14-4
CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C
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
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
α-linolenic acid
463-40-1
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
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
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
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
patchoulol
5986-55-0
C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O
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
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
3,7-di-O-methyl-kaempferol (kumatakenin)
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
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
protocatechualdehyde
139-85-5
C1=CC(=C(C=C1C=O)O)O
C1=CC(=C(C=C1C=O)O)O
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
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
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
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
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
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
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
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
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
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
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
blumenol C
60047-19-0
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
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
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
6β-tigloyloxykolavenic acid
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
maleic acid
110-16-7
C(=CC(=O)O)C(=O)O
sulforaphene
592-95-0
CS(=O)C=CCCN=C=S
E-resveratrol
501-36-0
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
1-O-p-coumaroylglycerol
C1=CC(=CC=C1/C=C/C(=O)OCC(CO)O)O
rosarinrosin
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
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
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
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
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
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
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
triterpenoic acid
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
carvacrol
499-75-2
CC1=C(C=C(C=C1)C(C)C)O
esculentosides A
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
(-)-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
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
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
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
catechin
7295-85-4
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
N-E-caffeoyltyramine
103188-48-3
C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
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
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
3-isomangostin
19275-46-8
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
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
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
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
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
tanshinone II
568-72-9
ginsenosides Rf, Rd, Re and Rb1
N-E-feruloyltyramine
80510-09-4
COC1=C(C=CC(=C1)/C=C\C(=O)NCCC2=CC=C(C=C2)O)O
eugenol
97-53-0
COC1=C(C=CC(=C1)CC=C)O
procyanidin oligomers (n=0-13)
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
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
syringaresinol-4′-O-β-D-glucopyranoside
66791-77-3
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
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
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
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
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
(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
2,3-dihydroxybenzoic acid
303-38-8
C1=CC(=C(C(=C1)O)O)C(=O)O
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
deacetylcinobufagin
4026-95-3
confusarin
108909-02-0
COC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)OC)OC)O)O
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
3-butylidenephthalide
72917-31-8
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
β-caryophyllene
87-44-5
C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
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
1-hydroxy-2,3,5-trimethoxyxanthone
22804-49-5
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
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
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
squamocin
120298-30-8
CCCCCCC(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O
28-O-β-D-glucopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→4)]-α-L-rhamnopyranosyl-(1→2)-β-D-fucopyranoside
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
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
kaempferol 3-O-methyl ether
1592-70-7
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
(+)-norephedrine
37577-28-9
C[C@H]([C@H](C1=CC=CC=C1)O)N
siderochelin A
77550-87-9
C[C@]1(CC(N=C1C2=C(C=CC=N2)O)C(=O)N)O
[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
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
acetyl-triterpenoic acid
17 differnet pigments from dark violet pokeberry fruits
3-n-butyl phthalide
6066-49-5
CCCCC1C2=CC=CC=C2C(=O)O1
p-hydroxybenzoic acid
99-96-7
C1=CC(=CC=C1C(=O)O)O
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
methyl tanshinonate
18887-19-9
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC[C@]4(C)C(=O)OC
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
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
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
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
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
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
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
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
L-Tyrosylglycylglycine
21778-69-8
N[C@@]([H])(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)O
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
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
(E)-butylidine phthalide
76681-73-7
CCC/C=C/1\C2=CC=CC=C2C(=O)O1
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
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
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
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
methylswertianin
22172-17-4
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
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
(-)-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
platypodiol
CC1=CCCC2[C@]1([C@@H](C[C@H]([C@]2(C)CC/C(=C/CO)/C)CO)O)C
salicyluric acid
487-54-7
C1=CC=C(C(=C1)C(=O)NCC(=O)O)O
octanona-O-galloylglucose
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
1,2-dihydrotanshinquinone
77769-21-2
#N/A
CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C
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
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
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
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
rolliniastatin-2
123805-39-0
CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
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
dioctylphthalate
68515-43-5
CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
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
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
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
isoneotriptophenolide
81827-74-9
CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O
α-mangostin
6147-11-1
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
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
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
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
bellidin
2980-32-7
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
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
theaflavin-3,3'-gallate
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
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
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
glycoglycerolipid monomers
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
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
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
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
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
swerchirin
521-65-3
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
cannabidiol
13956-29-1
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
senkyunolide-H
94596-27-7
CCC/C=C\1/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1
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
nootkatone
4674-50-4
C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C
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
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
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
methyl 5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoate
28831-65-4
CC1(C=CC2=C(C(=C(C=C2O1)OC)CCC(=O)OC)OC)C
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
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
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
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
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
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
3-O-caffeoyl-γ-quinide
327-97-9
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
(+)-totarol
511-15-9
CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
(−)-epigallocatechin
970-74-1
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
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
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
sucrose
57-50-1
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
ombelliferon
93-35-6
C1=CC(=CC2=C1C=CC(=O)O2)O
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
punicalagin
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
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
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
trans-o-coumaric acid
614-60-8
C1=CC=C(C(=C1)/C=C/C(=O)O)O
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
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
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
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
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
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
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
1,5-diphenyl-1-pentanone
39686-51-6
C1=CC=C(C=C1)CCCCC(=O)C2=CC=CC=C2
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
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
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
indole-3-butyric acid
133-32-4
C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
PGB2
13367-85-6
CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O
trijuganone
135247-94-8
reynosin
28254-53-7
C[C@@]12CC[C@@H]3[C@@H]([C@H]1C(=C)CC[C@H]2O)OC(=O)C3=C
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
calcedarioside 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
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
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
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
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
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
(-)-epigallocatechin
970-74-1
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
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
phosphatidylcholine
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
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
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
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
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
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
(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
paeonol
552-41-0
CC(=O)C1=C(C=C(C=C1)OC)O
hepta-O-galloylglucose
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
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
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
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
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
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
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
p-menta-1,4-dien-7-al
22580-90-1
7-O-methylmangiferin
31002-12-7
COc4cc3c(=O)c2c(O)cc(O)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2oc3cc4O
kumatakenin
3301-49-3
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O
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
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
E-piceatannol
10083-24-6
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O
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
gartanine
33390-42-0
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
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
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
tanshinone IIA
568-72-9
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
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
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
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
niphimycin Iß
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
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
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
pentachlorophenol
87-86-5
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
triptophenolide
74285-86-2
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O
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
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
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
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
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
heptadecanoic acid
506-12-7
CCCCCCCCCCCCCCCCC(=O)O
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
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
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
nerolidol
7212-44-4
CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
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
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
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
L-Valyl-L-Tyrosine
3061-91-4
CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
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
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
[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
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
tanaparthin-β-peroxide
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
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
PGA2
13345-50-1
CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
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
trans-asarone
2883-98-9
C/C=C/C1=CC(=C(C=C1OC)OC)OC
triptonoterpene methyl ether VI
CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O
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
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
α and β-mangostin
20931-37-7
methyleugenol
93-15-2
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
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
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
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
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
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
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
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
niphitricin B
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
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
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
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
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
cyclanoline
18556-27-9
C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)O)O)OC
menthone
14073-97-3
C[C@@H]1CC[C@H](C(=O)C1)C(C)C
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
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
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
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
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
(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
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
nebularine
550-33-4
C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
3,3′,4′-tri-O-methyl-quercetin
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
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
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
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
isofebrifugine
32434-44-9
C1C[C@H]2[C@H](CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1
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
indole-3-acetamide
879-37-8
C1=CC=C2C(=C1)C(=CN2)CC(=O)N
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
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
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
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
L-Leucyl-L-Tyrosine
968-21-8
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
α-cyperone
132983-05-2
CC1=C2C[C@@H](CC[C@]2(CCC1=O)C)C(=C)C
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
sageone
142546-15-4
tanshinone I
568-73-0
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
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-]
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
(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
3,7,3′,4′-tetra-O-methyl-quercetin (retusin)
desoxygartanine
33390-41-9
dl-methylephedrine HCl
18760-80-0
Cl.C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C
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
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
indole-3-acetic acid
87-51-4
C1=CC=C2C(=C1)C(=CN2)CC(=O)O
ß-asarone
5273-86-9
C/C=C\C1=CC(=C(C=C1OC)OC)OC
γ-mangostin
31271-07-5
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
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
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
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
terpinen-4-ol
562-74-3
CC1=CCC(CC1)(C(C)C)O
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
7α-hidroxytestosterone
2141-17-5
C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O
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
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
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-]
chelerythrine
34316-15-9
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
neomenthol
1490-04-6
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
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
sanguinarine
2447-54-3
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
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
8-epiblechnic acid 9-methyl ester
COC(=O)C2c1c(/C=C/C(=O)O)ccc(O)c1OC2c3ccc(O)c(O)c3
(E)-isoelemicin
5273-85-8
C/C=C/C1=CC(=C(C(=C1)OC)OC)OC
β-farnesene
18794-84-8
CC(=CCC/C(=C/CCC(=C)C=C)/C)C
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
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
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
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
thymol
89-83-8
CC1=CC(=C(C=C1)C(C)C)O
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
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
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
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
(-)-norephedrine
492-41-1
C[C@@H]([C@@H](C1=CC=CC=C1)O)N
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
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
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
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
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
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
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
bellidinfolin
2798-25-6
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
7,4'-dihydroxy-5,3'-dimethoxyflavanonol
COC1=CC(=CC2=C1C(=O)C(C(O2)C3=CC(=C(C=C3)O)OC)O)O
miltirone
27210-57-7
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
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
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
linalool
78-70-6
anonamine
111566-66-6
CC1CC(=CCO)C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)O)O)C
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
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
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
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
9,12-octadecadienoic acid methyl ester
2462-85-3
CCCCCC=CCC=CCCCCCCCC(=O)OC
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
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
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]
N-(E)-caffeoyldopamine
103188-49-4
C1=CC(=C(C=C1CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
menthol
1490-04-6
padmatin
80453-44-7
COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O
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
kudtdiol
70142-90-4
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)[C@](C)(CO)O
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
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
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
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
trijuganone B
126979-84-8
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
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
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
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
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
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
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
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
biochanin A
491-80-5
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
retusin
1245-15-4
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
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
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
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
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
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
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
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
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
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
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
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
Val-Tyr
3061-91-4
N[C@@]([H])(C(C)C)C(=O)N[C@]([H])(Cc1ccc(O)cc1)C(=O)O
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
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
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
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
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
9-hydroxycalabaxanthone
35349-68-9
2-hydroxypropyl-7-theophylline
603-00-9
CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
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
α-terpineol
98-55-5
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
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
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
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
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
przewaquinone A
76843-23-7
decussatin
20882-69-3
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
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
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
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
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
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
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
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
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
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
3H-albuterol
CC(C)(C)NCC(O)([3H])c1ccc(O)c(CO)c1
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
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
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
intermedine
10285-06-0
C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O
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
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
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
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
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
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
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
quinine
130-95-0
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
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
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
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
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
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
febrifugine
24159-07-7
C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O
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
3,4-dihydroxy benzoic acid
99-50-3
C1=CC(=C(C=C1C(=O)O)O)O
glisoflavone
125709-32-2
CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3)O)OC)O)O)C
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
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
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
indole-3-acetonitrile
771-51-7
C1=CC=C2C(=C1)C(=CN2)CC#N
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-]
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
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
trans-phytol
150-86-7
C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C
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
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
[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
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
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
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
allocryptopine
24240-04-8
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Endosulfan sulfate
1031-07-8
C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
(+)-(1S,2S,4R)-limonene-1,2-diol
38630-75-0
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](O)C1
4-(2-Chloroethyl)morpholine
3240-94-6
C1COCCN1CCCl
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
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
(+)-(2S)-2-(4-chlorophenyl)succinic acid
89359-12-6
C1=CC(=CC=C1[C@H](CC(=O)O)C(=O)O)Cl
ondansetron isomer 2
99614-02-5
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
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
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
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
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
Methyl parathion
298-00-0
COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
(−)-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
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
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
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
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
Malathion
121-75-5
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
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
Anastrozole
120511-73-1
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
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
CBC
20675-51-8
CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O
olivetol
500-66-3
CCCCCC1=CC(=CC(=C1)O)O
(+)-2-(3-chlorophenyl) propanoic acid
14161-84-3
CC(C1=CC(=CC=C1)Cl)C(=O)O
3-acetyl-5-hydroxy-7-methoxyflavanone
CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=CC=C3
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
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
Benzovindiflupyr
1072957-71-1
CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC3=C2C4CCC3C4=C(Cl)Cl
kaempferol-3-O-robinobioside
#N/A
#N/A
#N/A
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
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
demethocycurcumin
22608-11-3
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
ethyl brevifolincarboxylate
107646-82-2
CCOC(=O)C1CC(=O)C2=C1C3=C(C(=C(C=C3C(=O)O2)O)O)O
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
(−)-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]
Panthenol
16485-10-2
CC(C)(CO)C(C(=O)NCCCO)O
Human serum albumin
70024-90-7
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
isogermafurenolide
20267-89-4
CC1=C2C[C@H]([C@](C[C@@H]2OC1=O)(C)C=C)C(=C)C
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
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
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
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
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
cyclo(L-Pro-L-Trp)
38136-70-8
C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43
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
neocurdione
108944-67-8
C[C@H]1CC/C=C(\CC(=O)[C@H](CC1=O)C(C)C)/C
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
(−)-(1R,2R,4R)-limonene-1,2-diol
59121-74-3
C=C(C)[C@@H]1CC[C@](C)(O)[C@H](O)C1
Imazalil
35554-44-0
C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
CBN
521-35-7
CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O
prunetin
552-59-0
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
Captan
133-06-2
C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
L-ornithine
70-26-8
C(C[C@@H](C(=O)O)N)CN
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
eudebeiolide B
C[C@@H]1[C@H]2CC3=C(C(=O)O[C@@]3(C[C@@]2(C=CC1=O)C)O)C
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
Oleic acid
112-80-1
CCCCCCCC/C=C\CCCCCCCC(=O)O
CCCCCCCCC=CCCCCCCCC(=O)O
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
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
(−)-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]
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
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
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
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
1S, 4S sertraline
79617-96-2
CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
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
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
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
pinostrobin
480-37-5
COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
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
L-Pro
4305-67-3
C1C[C@H]([NH2+]C1)C(=O)[O-]
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
Urea
57-13-6
C(=O)(N)N
dehydrodieugenol B methyl ether
COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2OC)OC)CC=C
(R)-acetyltropic acid
14510-36-2
CC(=O)OC[C@H](C(=O)O)c1ccccc1
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
Linolenic acid
463-40-1
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
CCC=CCC=CCC=CCCCCCCCC(=O)O
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
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+]
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
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
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
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
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
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
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
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
brevifolincarboxylic acid
18490-95-4
C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O
Fenoxycarb
72490-01-8
CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
MethylParathion
298-00-0
COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
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
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
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
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
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
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
piceatannol
10083-24-6
C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O
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
1S, 4R sertraline
91797-60-3
CN[C@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
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
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
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
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
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
Cypermethrin
52315-07-8
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
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
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
(-)-2-(4-methylphenyl)propanoic acid
938-94-3
CC1=CC=C(C=C1)C(C)C(=O)O
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
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
Aminocaproic acid
60-32-2
C(CCC(=O)O)CCN
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
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
physcion-8-O-glucoside
#N/A
#N/A
#N/A
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
curcumenone
100347-96-4
CC(=C1C[C@@H]2[C@H]([C@@]2(CC1=O)C)CCC(=O)C)C
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
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
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
Diethyl phthalate
84-66-2
CCOC(=O)C1=CC=CC=C1C(=O)OCC
1R, 4R sertraline
79617-98-4
CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
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
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
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
Chlorpyrifos
2921-88-2
CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
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
eupafolin
520-11-6
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
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
cis-resveratrol
61434-67-1
C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O
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
methylophiopogonanone B
74805-91-7
CC1=C(C(=C2C(=C1O)C(=O)[C@@H](CO2)CC3=CC=C(C=C3)OC)C)O
ophiopogonanone E
588706-66-5
CC1=C(C2=C(C(=C1O)OC)OCC(C2=O)CC3=C(C=C(C=C3)OC)O)O
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
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
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
Serine
56-45-1
C([C@@H](C(=O)O)N)O
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
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
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
Etoxazole
153233-91-1
CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
Methimazole
60-56-0
CN1C=CNC1=S
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
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
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
chaetoglobol acid
C=C/C=C/[C@@H]1OC[C@H](/C=C/C(=O)O)[C@H]1O
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
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
5-O-methylvisamminol
80681-42-1
CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC
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
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
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
dehydrodieugenol
4433-08-3
COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC=C)OC)O)CC=C
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
Tebuconazole
107534-96-3
CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
Enrofloxacin
93106-60-6
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
Prallethrin
23031-36-9
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
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
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
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
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
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
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
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
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
4-ethylbenzene-1,3-diol
2896-60-8
CCC1=C(C=C(C=C1)O)O
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
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
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
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
Chlorfenapyr
122453-73-0
CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
dehydrodieugenol B
75225-33-1
COC1=C(C=CC(=C1)CC=C)OC2=CC(=CC(=C2O)OC)CC=C
Spiromesifen
283594-90-1
CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C
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
docosahexaenoic acid ethyl ester
86227-47-6
CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC
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
(-)-2-(3-methylphenyl)propanoic acid
73721-06-9
CC1=CC(=CC=C1)C(C)C(=O)O
Teflubenzuron
83121-18-0
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F
(-)-aurenitol
71774-51-1
C/C=C/C=C/[C@H]1CO[C@H]([C@@H]1O)/C=C/C=C
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
(S)-acetyltropic acid
14510-36-2
CC(=O)OC[C@@H](C(=O)O)c1ccccc1
(+)-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]
pectolinarigenin
520-12-7
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O
(+)-2-(4-methylphenyl)propanoic acid
938-94-3
CC1=CC=C(C=C1)C(C)C(=O)O
Dehydroacetic acid
520-45-6
CC1=CC(=O)C(C(=O)O1)C(=O)C
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
emodin-8-O-glucoside
#N/A
#N/A
#N/A
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
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
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
diosmetin
520-34-3
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
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
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
Trimethadione
127-48-0
CC1(C(=O)N(C(=O)O1)C)C
Baclofen
1134-47-0
C1=CC(=CC=C1C(CC(=O)O)CN)Cl
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
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
Fenthion
55-38-9
CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
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
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
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
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
irilone
#N/A
#N/A
#N/A
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
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
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
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
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
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
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
Palmitic acid
57-10-3
CCCCCCCCCCCCCCCC(=O)O
Dimethyl phthalate
131-11-3
COC(=O)C1=CC=CC=C1C(=O)OC
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
Diazinon
333-41-5
CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
Propiconazole
60207-90-1
CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
jatrorhizine
3621-38-3
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
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
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
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
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
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
(-)-2-(3-chlorophenyl) propanoic acid
14161-84-3
CC(C1=CC(=CC=C1)Cl)C(=O)O
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
eudesm-7(11)-en-4α-ol
473-04-1
C/C(C)=C/2CC[C@@]1(C)CCC[C@@](C)(O)C1C2
Coumaphos
56-72-4
CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C
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
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
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
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
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
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
torachrysone-8-O-glucoside
#N/A
#N/A
#N/A
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
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
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
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
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
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
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
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
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
Methiocarb
2032-65-7
CC1=CC(=CC(=C1SC)C)OC(=O)NC
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
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
Sulfanilamide
63-74-1
C1=CC(=CC=C1N)S(=O)(=O)N
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
Spiroxamine
118134-30-8
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
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
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
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
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
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
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
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
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
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
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
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
7-chloro-5-methyl-2H-1,4-benzothiazin-3(4H)-one
15182-83-9
CC1=CC(=CC2=C1NC(=O)CS2)Cl
berberrubine
15401-69-1
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]
isorhapontigenin
32507-66-7
COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
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
cocsarmine
COc3cc2CC4c1c(cc(OC)c(OC)c1c2cc3O)CC[N+]4(C)C
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
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]
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
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
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
Nitrofurazone
59-87-0
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
Allantoin
97-59-6
C1(C(=O)NC(=O)N1)NC(=O)N
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
Retinyl acetate
127-47-9
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C
Bucetin
1083-57-4
CCOC1=CC=C(C=C1)NC(=O)CC(C)O
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
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
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
Hydroxyurea
127-07-1
C(=O)(N)NO
Pyridaben
96489-71-3
CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
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
Vildagliptin
274901-16-5
C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
Dimethyl fumarate
624-49-7
COC(=O)/C=C/C(=O)OC
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
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
Proline-Bx (indicaxanthin)
Warfarin
81-81-2
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Tyrosine-isoBx (isoportulacaxanthin II)
5-O-E-Sinapoyl-2-apiosylisobetanin
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
Nadolol
42200-33-9
CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
pseudoakuammigine
2447-70-3
C/C=C/1\CN2CCC34C5=CC=CC=C5N(C36C2CC1C4(CO6)C(=O)OC)C
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
ophiopogonanone A
75239-63-3
CC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC4=C(C=C3)OCO4)O
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
quercetin-3-O-robinobioside
#N/A
#N/A
#N/A
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
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
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
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
lirioferine
COc3cc2CC4c1c(cc(OC)c(OC)c1c2cc3O)CCN4C
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
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
Nitrofurantoin
67-20-9
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
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
Palmitoleic acid
373-49-9
CCCCCC/C=C\CCCCCCCC(=O)O
CCCCCCC=CCCCCCCCC(=O)O
Norfloxacin
70458-96-7
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
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
Norhydrocapsaicin
28789-35-7
CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
MGK-264
113-48-4
CCCCC(CC)CN1C(=O)C2[C@H]3C[C@H](C=C3)C2C1=O
Cystine
56-89-3
C(C(C(=O)O)N)SSCC(C(=O)O)N
5-hydroxy-3,4',7-trimethoxyflavone
COC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=C(C=C3)OC
8-O-demethylchelerythrine
COc1c(O)ccc4c1c[n+](C)c5c3cc2OCOc2cc3ccc45
3,5-dihydroxy-7-methoxyflavanone
480-13-7
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=CC=C3)O
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
2-Apiosylisobetanin
Linoleic acid
60-33-3
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
CCCCCC=CCC=CCCCCCCCC(=O)O
1-(3,5-Dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(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
Betanin
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
Allylthiourea
109-57-9
C=CCNC(=S)N
(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
GomphreninI
Flumequine
42835-25-6
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
hexanoic acid
142-62-1
CCCCCC(=O)O
Captopril
62571-86-2
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
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
corydinemethine
101959-19-7
CN(C)CCC1=CC(=C(C2=C1C=CC3=C2C(=C(C=C3)OC)OC)O)OC
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
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
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
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
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
(-)-(2R)-2-(4-chlorophenyl)succinic acid
C1=CC(=CC=C1[C@@H](CC(=O)O)C(=O)O)Cl
Glycine
56-40-6
C(C(=O)O)N
Synephrine
94-07-5
CNCC(C1=CC=C(C=C1)O)O
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
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
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
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
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
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
delta-Tocopherol
119-13-1
CC1=CC(=CC2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Stearic acid
57-11-4
CCCCCCCCCCCCCCCCCC(=O)O
Bufexamac
2438-72-4
CCCCOC1=CC=C(C=C1)CC(=O)NO
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
Phenylalanine-isoBx
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
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
5-O-Salicyl-2-O-apiosylisobetanin
Cyprodinil
121552-61-2
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3
Cimetidine
51481-61-9
CC1=C(N=CN1)CSCCNC(=NC)NC#N
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
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
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
Tetramethrin cis
7696-12-0
CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
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
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
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
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
PCNB
82-68-8
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
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
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
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
IsogomphreninI
Clorsulon
60200-06-8
C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
masso lactone C-12
152398-49-7
CCCCCCC[C@@H]1CC=CC(=O)O1
Levodopa
59-92-7
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
1R, 4S sertraline
140631-53-4
CN[C@@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
masso lactone C-13
152398-49-7
CCCCCCC[C@@H]1CC=CC(=O)O1
Furosemide
54-31-9
C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
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
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
5-O-E-Feruloyl-2-apiosylbetanin
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
3,4-Dihydroxybenzoic acid
99-50-3
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
Dihydrodiethylstilbestrol
5635-50-7
CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
Tropicamide
1508-75-4
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
Trimethoprim
738-70-5
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-sophorosyl)-(6',6"-di-O-transcoumaroyl)]-β-sophoroside
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
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
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
δ-tocopherol
119-13-1
CC1=CC(=CC2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O
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
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
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
Etridiazole
2593-15-9
CCOC1=NC(=NS1)C(Cl)(Cl)Cl
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
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
MGK264 isomer2
113-48-4
CCCCC(CC)CN1C(=O)C2[C@H]3C[C@H](C=C3)C2C1=O
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
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
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
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
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
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
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
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
Dihydrocapsaicin
19408-84-5
CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
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
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
acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-sophorosyl)-(6'-O-trans-feruloyl-6"-O-trans-coumaroyl)]-β-sophoroside
Domperidone
57808-66-9
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
3,5-dihydroxybenzoic acid
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
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
Dibutyl phthalate
84-74-2
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
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
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
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
L-Ile
443-79-8
CC[C@H](C)[C@@H](C(=O)O)N
Ellagic acid
476-66-4
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
Dicumarol
66-76-2
C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
Nitazoxanide
55981-09-4
CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
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
Isoleucine-Bx
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
Sulfameter
651-06-9
COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
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
eudebeiolide D
[H][C@]23Cc1c(C)c(=O)oc1=C[C@]2(C)C=CC(=O)[C@@H]3C
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
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
Naled
300-76-5
COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
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
Clofentezine
74115-24-5
C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
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
Allopurinol
315-30-0
C1=NNC2=C1C(=O)NC=N2
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
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
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
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
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]
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
Spirodiclofen
148477-71-8
CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl
6''-O-Malonyldaidzin
124590-31-4
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O
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
Pyraclostrobin
175013-18-0
COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
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
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
ondansetron isomer 1
99614-02-5
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
S1RA
878141-96-9
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
MGK264 isomer1
113-48-4
CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O
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
4-hydroxy-1-methyl-L-Pro
4252-82-8
CN1C[C@@H](C[C@H]1C(=O)O)O
Acetohydroxamic acid
546-88-3
CC(=O)NO
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
Thiabendazole
148-79-8
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
Glafenine
3820-67-5
C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl
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
6-O-Salicylbetanin
1,1,6-trimethyl-1,2-dihydronaphthalene
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
Ethoprophos
13194-48-4
CCCSP(=O)(OCC)SCCC
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
[(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
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
5-O-E-Sinapoyl-2-apiosylbetanin
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
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
3-hydroxyphloridzin
#N/A
#N/A
#N/A
Piperonylbutoxide
51-03-6
CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
Zomepirac
33369-31-2
CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl
(+)-2-(3-methylphenyl)propanoic acid
73721-06-9
CC1=CC(=CC=C1)C(C)C(=O)O
Dipropyl phthalate
131-16-8
CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
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
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
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
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
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
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
Etofenprox
80844-07-1
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
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
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
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
monogolicumin A
glycoglycerolipid monomers, GCL I
glycoglycerolipid monomers, GCL II
Monobenzone
103-16-2
C1=CC=C(C=C1)COC2=CC=C(C=C2)O
Buprofezin
69327-76-0
CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2
Taurine
107-35-7
C(CS(=O)(=O)O)N
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
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
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
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
(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
13-Homo-13-oxa-6a,12a-dehydrodeguelin
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
schisanhenol acetate
COc3cc2C[C@@H](C)[C@@H](C)Cc1cc(OC)c(OC)c(OC(C)=O)c1c2c(OC)c3OC
5-O-Salicyl-2-O-apiosylbetanin
Sulfadiazine
68-35-9
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
2,4',6-trihydroxy-4-methoxybenzophenone
55051-85-9
COC1=CC(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O
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
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
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
Tandutinib
387867-13-2
CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5
Cinchonidine
485-71-2
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
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
Sorbitol
50-70-4
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
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
intermedeol
6168-59-8
CC(=C)[C@@H]1CC[C@@]2(CCC[C@]([C@H]2C1)(C)O)C
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
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
Ranitidine
66357-35-5
CN/C(=C\\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C
Phosmet
732-11-6
COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
Niclosamide
50-65-7
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
Iprodione
36734-19-7
CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
acyloligosaccharide linked betacyanin: Betanidin-6-O-(6' -O-trans-4-coumaroyl)-β-sophoroside
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
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
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
Humulinone
26110-47-4
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
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
5-Hydroxy-6,7,8,3',4',5'-hexamethoxyflavon-3-ol
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
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
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
kaemferol
520-18-3
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
meranzin hydrate
5673-37-0
CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
carajurin
triptonoterpene methyl ether
CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O
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
(–)-(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
3-methoxy-5-(2-phenylethenyl)-phenol
5150-38-9
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
α-tocomonoenol
#N/A
#N/A
#N/A
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
piperolein B piperoleine B
30505-89-6
C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3
acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6',6"-di-O-transcoumaroyl)]-β-sophoroside
dihydrocaffeoyl-syringoyl quinic acid
linalyl acetate
115-95-7
CC(=CCCC(C)(C=C)OC(=O)C)C
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
9α-hydroxysesamin
63427-86-1
O[C@H]5O[C@H](c2ccc1OCOc1c2)C6CO[C@H](c4ccc3OCOc3c4)C56
N-benzyl-(9Z, 12Z)-octadecadienamide
CCCCCC=CCC=CCCCCCCCC(=O)NCC1=CC=CC=C1
no name of compounds are given, compuond 3
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
resveratrol-4′-O-(2″-O-galloyl)-glucopyranoside
#N/A
Adhumulone
31769-65-0
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
syringaldehyde hexyl glycerol
Honokiol
35354-74-6
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
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
no name of compounds are given, compuond 4
adinoside G
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
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
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
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
lapachol
84-79-7
#N/A
CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C
6-O-Salicylisobetanin
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
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
Isobetanin
oleanolic acid hexoside adduct [M+Cl]−
Cianidanol
7295-85-4
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
diaffeoyl-dihydrocaffeoyl-sinapoyl quinic acid
acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6'-O-trans-caffeoyl-6"-Otrans-coumaroyl)]-β-sophoroside
Isoleucine-isoBx
3,4,5-Trihydroxy-4-(3-methylbut-2-enyl)-5-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one
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
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
Colupulone
468-27-9
ginkgolic acid C15:0
16611-84-0
CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
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
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
(+)-trans-paroxol
#N/A
5α-hydroxy-2-oxo-p-menth-6(1)-ene
#N/A
#N/A
#N/A
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
2-hydroxy-4-methoxy-6-(2-phenylvinyl)-benzoic acid
#N/A
#N/A
#N/A
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
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
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
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
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
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
4-Hydroxybenzaldehyde
123-08-0
Pyrano[2,3-f]chromenone
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
Psoralen
66-97-7
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
Dasatinib
302962-49-8
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
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
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
Naproxen
22204-53-1
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
Glipizide
29094-61-9
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
Diclazuril
101831-37-2
C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
glucuronyl oleanolic acid
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
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
maltol
118-71-8
#N/A
CC1=C(C(=O)C=CO1)O
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
(+)-(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
Psoralidin
18642-23-4
(-)-13aα-antofine
32671-82-2
C=1C2=C(C=C(C1OC)OC)C=3C=C(C=CC3C4=C2C[C@]5(CCCN5C4)[H])OC
Bitoscanate
4044-65-9
C1=CC(=CC=C1N=C=S)N=C=S
Oxybenzone
131-57-7
COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Epicatechin
490-46-0
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
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
glycoglycerolipid monomers, GCL III
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
7(R)-O-butylmorroniside
#N/A
#N/A
#N/A
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
Cinnarizine
298-57-7
C1CN(CCN1/C=C/CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Dihydroxanthohumol
102448-00-0
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
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
Lupulone
468-28-0
N-benzylhexadecanamide
74058-71-2
CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
(-)-trans-paroxol
#N/A
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
(+)-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
gmelinoside L
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
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
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
isohamnetin hexoside
Bezafibrate
41859-67-0
CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
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
Chrysin
480-40-0
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
Acetylvismione D
CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)OC(=O)C)O)/C)C
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
Diflunisal
22494-42-4
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O
Cyclamic acid
100-88-9
C1CCC(CC1)NS(=O)(=O)O
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
glucuronyl oleanolic acid dihexoside derivative
wedelolactone
524-12-9
COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O)O
Leucine-Bx (vulgaxanthin IV)
platetyolin A
#N/A
#N/A
#N/A
Phenylalanine-Bx
4-hydroxycinnamic acid
501-98-4
O=C(O)/C=C/c1ccc(O)cc1
ginsenoside Rg6
6′-O-formyl-amaranthin
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
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
Xylazine
7361-61-7
CC1=C(C(=CC=C1)C)NC2=NCCCS2
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
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
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
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
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
2-O-Glucosyl-6-O-salicylbetanin
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
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
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
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
6′-O-malonyl-amaranthin (celoscristatin)
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
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
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
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
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
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
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
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
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
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
2-(4-bromomethylphenyl)propionic acid
111128-12-2
#N/A
CC(C1=CC=C(C=C1)CBr)C(=O)O
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
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
secologanin dimethylacetal
3α-tigloyloxy-ent-kaur-16-en-oic acid
#N/A
#N/A
#N/A
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
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
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
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
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
syringaldehyde butyl glycerol
isohamnetin acetyl hexoside desoxyhexoside
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
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
(9R)-hydroxy-D-sesamin
#N/A
#N/A
#N/A
p-cymene
99-87-6
CC1=CC=C(C=C1)C(C)C
Magnolol
528-43-8
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
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
glucuronyl akebonoic acid adduct [M+Cl]−
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
lucidafuranocoumarin A
isomeranzin
1088-17-1
CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
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
3-O-trans-p-coumaroylquinic acid
hainanmurpanin
95360-22-8
#N/A
CC(C)C(=O)C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC(=O)C
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
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
Uridine
58-96-8
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
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
dihydrocaffeoyl-vanilloyl quinic acid
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
(+)-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
Hydroxytyrosol
10597-60-1
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
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
cornuside II
isohamnetin hexoside adduct [M+NO3]−
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
caffeoyl quinic acid adduct [M+Cl]−
podoverine H
#N/A
#N/A
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
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
7α-hydroxyroyleanone
#N/A
#N/A
#N/A
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
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
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
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
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
achyrobichalcone
julibroside J5
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
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
2-O-Glucosyl-6-O-salicylisobetanin
(-)-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
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
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
eckmaxol
scrophuloside A3
Desmethylxanthohumol
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
N-benzyl-9Z-octadecenamide
883715-21-7
9ß-hydroxysesamin
63427-86-1
O[C@@H]5O[C@H](c2ccc1OCOc1c2)C6CO[C@H](c4ccc3OCOc3c4)C56
isohamnetin hexoside desoxyhexoside derivative
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
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
Isoxicam
34552-84-6
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
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
Fenofibrate
49562-28-9
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
skimmianine
83-95-4
COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
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
quercetin hexoside
isoscoparin 7-o-(6′′′-feruloyl) glucoside
kaempferol dihexoside
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
1-octen-3-ol
3391-86-4
CCCCCC(C=C)O
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
N-Acetyl-L-phenylalanine
2018-61-3
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
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
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
dehydropodophyllotoxin
42123-27-3
COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)O)COC3=O
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
glucuronyl akebonoic acid hexoside
glucuronyl akebonoic acid hexoside derivative
2-Apiosylbetanin
glucuronyl oleanolic acid hexoside
scropolioside F
kaempferol hexoside adduct [M+Cl]−
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
isohamnetin pentoside desoxyhexoside
kaempferol hexoside adduct [M+NO3]−
no name of compounds are given, compuond 2
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
sterubin
Trioxsalen
3902-71-4
CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
camophor
76-22-2
CC1(C2CCC1(C(=O)C2)C)C
damascenine
483-64-7
julibroside J5a
javanicin
476-45-9
CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C
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
(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
Iopanoic acid
96-83-3
CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
acyloligosaccharide linked betacyanin: Betanidin-6-O-[(2"-O-β-glucosyl)-(6'-O-trans-coumaroyl-6"-O-trans-feruloyl)]-β-sophoroside
Diazoxide
364-98-7
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
apigenin 6-C-β-d-galactopyranosyl-8-C-β-d-xylopyranoside
sinapoyl isohamnetin hexoside
gallic acid 4-O-β-D-(6'-O-galloyl)glucoside
#N/A
#N/A
#N/A
dicaffeoyl quinic acid derivative
sarracenin
59653-37-1
CC1C2C3CC(O1)OC2OC=C3C(=O)OC
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
Adlupulone
35049-54-8
syringaldehyde pentyl glycerol
Salicylamide
65-45-2
C1=CC=C(C(=C1)C(=O)N)O
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
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
podoverine E
#N/A
#N/A
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
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
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
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
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
Clinopodiside A
142809-89-0
Isodehydrocycloxanthohumol hydrate
CC1(CCC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O)C
β-1,2,3,6-Tetragalloyl-D-glucose
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
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
9-Aminoacridine
90-45-9
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N
Flutamide
13311-84-7
CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
Proline-isoBx (isoindicaxanthin)
Tenoxicam
59804-37-4
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3
Dioxybenzone
131-53-3
COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
Triclosan
3380-34-5
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
Eriodictyol
552-58-9
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
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
3,5-dihydroxy-4′-methoxystilbene-3-O-β-d-glucopyranoside
#N/A
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-]
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
Quercetin
117-39-5
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
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
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
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
7-dehydrologanin
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
haplopine
5876-17-5
COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O
6'-O-β-D-glucopyranosyl gentiopicroside
isohamnetin hexoside desoxyhexoside
oleanolic acid hexoside
Jacaranone
60263-07-2
borneol
507-70-0
CC1(C2CCC1(C(C2)O)C)C
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
wiedemannioside C
bolibetin
521-32-4
trans-dehydro androsterone
#N/A
#N/A
#N/A
Desmethylxanthohumol J
CC(C)(C1CC2=C(O1)C=C(C(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)O)O
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
Nizatidine
76963-41-2
CN/C(=C\\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C
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
podoverine F
#N/A
#N/A
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
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
resveratrol-4′ -O-(6′’-O-galloyl)-glucopyranoside
#N/A
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
isohamnetin hexoside derivative
7-(5-Allyl-2-hydroxyphenyl)-2,3-dihydro-1H-indene-2,4-diol
di(dihydro)caffeoyl-syringoyl quinic acid methyl ester
Isoxanthohumol
72247-79-1
asperpyrone F
#N/A
5-methoxydictamnine
6-β-hydroxygeniposide
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
julibroside J5 and J5a .
isodemethylwedelolactone
350681-33-3
C1=C(C=C(C2=C1C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O)O
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
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
Magnaldehyde E
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
Vismione D
87605-72-9
CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)/C)C
Pyritinol
1098-97-1
CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
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
secologanoside 7-O-methyl ester
#N/A
#N/A
#N/A
6-O-(3'’,4’'-di-O-trans-cinnamoyl)-α-L-rhamnopyranosylcatalpol
hippophanone
#N/A
#N/A
#N/A
emodin-1-O-β-d-glucoside
#N/A
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
Tyrosine-Bx (portulacaxanthin II)
val-tyr
3061-91-4
N[C@@]([H])(C(C)C)C(=O)N[C@]([H])(Cc1ccc(O)cc1)C(=O)O
(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
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
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
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
skullcapflavone II
55084-08-7
#N/A
COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
premnacorymboside A
quercetin hexoside adduct [M+NO3]−
eucalyptol
470-82-6
CC1(C2CCC(O1)(CC2)C)C
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
carminic acid
leptodactylone
61899-44-3
COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC
Tyrosol
501-94-0
Nalidixic acid
389-08-2
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
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
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
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
3α-angeloyloxy-ent-kaur-16-en-oic acid
#N/A
#N/A
#N/A
demethyldehydropodophyllotoxin
117669-31-5
COC1=CC(=CC(=C1O)OC)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)O)COC3=O
ginkgolic acid C13:0
20261-38-5
CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
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
aglycone cimigenol
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
podoverine D
#N/A
#N/A
3α-senecioyloxy-ent-kaur-16-en-oic acid
#N/A
#N/A
#N/A
(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
(-)-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
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
isohamnetin hexoside desoxyhexoside adduct [M+Cl]−
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
4-O-Methylhonokiol
68592-15-4
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
Ethionamide
536-33-4
CCC1=NC=CC(=C1)C(=S)N
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
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
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
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
(5αH)-6-epidihydrocornin
#N/A
#N/A
#N/A
Chlorpropamide
94-20-2
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
dicaffeoyl quinic acid derivative II
isohamnetin pentoside desoxyhexoside adduct [M+Cl]−
Sarothralen B
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
amburanins B
#N/A
#N/A
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
ginkgolic acid C17:2
#N/A
CCCCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
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
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
cirsiliol-4'-glucoside
#N/A
#N/A
#N/A
7(S)-O-butylmorroniside
#N/A
#N/A
#N/A
(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
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
Griseofulvin
126-07-8
C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
Dhelwangin
23800-56-8
3α-phenylpropionoyloxy-ent-kaur-16-en-oic acid
#N/A
#N/A
#N/A
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
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
Paroxypropione
70-70-2
CCC(=O)C1=CC=C(C=C1)O
apigenin 6-C-β-d-xylopyranosyl-8-C-β-d-galactopyranoside
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
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
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
schisanhenol
69363-14-0
COc3cc2C[C@H](C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1c2c(O)c3OC
Nifuroxazide
965-52-6
C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O
Caffeic acid
501-16-6
C1=CC(=C(C=C1/C=C/C(=O)O)O)O
4'-hydroxyacetophenon
99-93-4
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
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
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
Magnaldehyde B
92829-72-6
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)/C=C/C=O)O
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
kaempferol hexoside
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
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
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
premnacorymboside B
Dehydrodeguelin
3466-23-7
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
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
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
2,5,5,8a-tetramethyl-2,4a-epoxy-4a,5,6,8a-tetrahydrochroman
Chromocarb
4940-39-0
C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O
isopodoverine E
#N/A
#N/A
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
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
2′-acetyl verbascoside
#N/A
#N/A
#N/A
isorugosin A
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
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
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
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
Rhapontigenin
500-65-2
COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O
2-naphthaleneacetic acid 6-methoxy-α-methyl-3-bromo-2,2-dimethylpropyl ester
#N/A
#N/A
#N/A
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
quercetin hexoside adduct [M+Cl]−
5-hydroxy-7,4′-dimethoxyflavone
5128-44-9
5-hydroxy-7,3′,4′-trimethoxyflavone
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
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
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
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
methoxy-hexanoate-chromone
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
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
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
Resveratrol
501-36-0
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
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
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
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
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
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
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
adinoside F
7-O-ethyl sweroside
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
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
5-O-E-Feruloyl-2-apiosylisobetanin
Cohumulone
511-25-1
4'-demethylpodophyllotone
#N/A
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
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
eriodicytol
4049-38-1
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
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
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
podoverine G
#N/A
#N/A
Mebendazole
31431-39-7
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
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
quercetin hexoside derivative
3-phenylethyl β-D-glucopyranoside
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
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
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
isopodoverine D
#N/A
#N/A
val-val-tyr-pro
#N/A
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
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
(+)-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
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
(Z)-ligustilide
81944-09-4
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
CCCC=C1C2=C(C=CCC2)C(=O)O1
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
Ferulic acid
537-98-4
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
no name of compounds are given, compuond 1
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
glucuronyl oleanolic acid derivative
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
palmitoleic acid
373-49-9
CCCCCC/C=C\CCCCCCCC(=O)O
CCCCCCC=CCCCCCCCC(=O)O
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
(7R)-secologain n-butyl methyl acetal
syringalide A 3′-α-rhamnospyranoside
Leucine-isoBx (isovulgaxanthin IV)
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
N-Acetyl-D-cysteine
26117-28-2
CC(=O)N[C@H](CS)C(=O)O
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
7-O-(4-maloyl)loganin
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
peucedanin
133-26-6
#N/A
CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC
longifolione D
#N/A
#N/A
#N/A
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
biochanin A–7–O–glucopyranoside
#N/A
#N/A
#N/A
3-(5-hydroxy-4-(3-methylbut-2-enyl)naphtho[1,2-d]oxazol-2-yl) benzonitrile
#N/A
#N/A
#N/A
epigallocatechin-3-gallate-(4β→8, 2β→O→7)-epigallocatechin-3-gallate dimer
#N/A
#N/A
#N/A
sabinene
3387-41-5
#N/A
CC(C)C12CCC(=C)C1C2
ricinoleic acid
141-22-0
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O
CCCCCCC(CC=CCCCCCCCC(=O)O)O
α-pinene
80-56-8
#N/A
CC1=CCC2CC1C2(C)C
2-methyl-3-methoxy anthraquinone
#N/A
#N/A
#N/A
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
alternariol monomethyl ether
23452-05-3
#N/A
CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
3-phenyllactic acid
828-01-3
#N/A
C1=CC=C(C=C1)CC(C(=O)O)O
1,1'-[1,4-phenylenebis(oxy)]bis[3-[(1-methylethyl)amino]-2-propanol
#N/A
#N/A
#N/A
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
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
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
2-(4-hydroxyphenyl)propanoic acid
938-96-5
#N/A
CC(C1=CC=C(C=C1)O)C(=O)O
coriolic acid
18104-45-5
CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)O
CCCCCC(C=CC=CCCCCCCCC(=O)O)O
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
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
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-]
epi-lyoniresinol
#N/A
#N/A
#N/A
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
obtusifolin
477-85-0
#N/A
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O
9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid
57818-39-0
#N/A
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O)C
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
1-(3,4,5-trimethoxyphenyl)-1',2'-ethanediol
116673-46-2
#N/A
COC1=CC(=CC(=C1OC)OC)C(CO)O
1,2,3,4,6-penta-O-galloyl-β-D-pyranglucose
#N/A
#N/A
#N/A
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
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
pratensein
2284-31-3
#N/A
COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
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
2-aminoazobenzene
2835-58-7
#N/A
C1=CC=C(C=C1)N=NC2=CC=CC=C2N
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
evernic acid
537-09-7
#N/A
CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC
longifolione A
#N/A
#N/A
#N/A
ustilaginoidin I
#N/A
#N/A
#N/A
isoamaranthine
#N/A
#N/A
#N/A
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
urolithin A
1143-70-0
#N/A
C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O
strychnine chloromethochloride
#N/A
#N/A
#N/A
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
(+)-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
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
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
longifolione B
#N/A
#N/A
#N/A
lyoniresinol
#N/A
#N/A
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)CO
5-O-methylpyridoxine
#N/A
#N/A
CC1=NC=C(C(=C1O)CO)COC
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
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
(+)-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
cernidine
#N/A
#N/A
#N/A
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
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
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
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
ferulic acid derivative
#N/A
#N/A
#N/A
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
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
2-hydroxyl-3-methyl anthraquinone
#N/A
#N/A
#N/A
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
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
batatasin III
56684-87-8
#N/A
COC1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O
officinalin isobutyrate
61467-56-9
#N/A
CC(C)C(=O)OC1=C(C=C2C=CC(=O)OC2=C1)C(=O)OC
2-(4-nitrophenyl)propanoic acid
19910-33-9
#N/A
CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
isocorydione
75652-90-3
#N/A
CN1CCC2=CC(=C(C3=C4C(=CC1=C23)C(=O)C=C(C4=O)OC)OC)OC
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
d-limonene
5989-27-5
CC1=CC[C@@H](CC1)C(=C)C
CC1=CCC(CC1)C(=C)C
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
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
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
stenocarpin isobutyrate
#N/A
#N/A
#N/A
6,6-dimethyl-2-(4-(dimethylamino)phenyl)-6H-pyran[3’,2’:3,4] naphto[2,1-d]oxazol
#N/A
#N/A
#N/A
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
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
compound 6
#N/A
#N/A
#N/A
orsellinic acid
480-64-8
#N/A
CC1=CC(=CC(=C1C(=O)O)O)O
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
6,6-dimethyl-2-p-toluyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol
#N/A
#N/A
#N/A
platetyolin B
#N/A
#N/A
#N/A
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
acetylsalicylic acid
50-78-2
O=C(C)Oc1ccccc1C(=O)O
mandelic acid
90-64-2
#N/A
C1=CC=C(C=C1)C(C(=O)O)O
1,3,6-tri-O-galloyl-β-D-pyranglucose
#N/A
#N/A
#N/A
(-)-pheniramine
#N/A
#N/A
#N/A
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
8-methoxypeucedanin
#N/A
#N/A
#N/A
1,1'-[(4-methyl-1,2-phenylene)bis(oxy)]bis[3-[(1-methylethyl)amino]-2-propanol
#N/A
#N/A
#N/A
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
dihydrophaseic acid 3'-O-β-D-glucopyranoside
#N/A
#N/A
#N/A
suprofen
40828-46-4
#N/A
CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O
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
3-epi-dehydrotumulosic acid
#N/A
#N/A
#N/A
(-)-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
amaranthine
#N/A
#N/A
#N/A
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
4-(3-methylbut-2-enyl)-2-p-toluylnaphtho[1,2-d]oxazol-5-ol
#N/A
#N/A
#N/A
geissoschizine methylether
#N/A
#N/A
#N/A
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
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
1,6-di-O-galloyl-β-D-pyranglucose
#N/A
#N/A
#N/A
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
2-(2-chlorophenyl)-4-(3-methylbut-2-enyl)naphtho[1,2-d] oxazol-5-ol
#N/A
#N/A
#N/A
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
4-[6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranosyloxy]-3-methoxybenzoic acid
#N/A
#N/A
#N/A
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
3'-O-methylbatatasin III
101330-69-2
#N/A
COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)O
3-keto-deoxynivalenol
#N/A
#N/A
#N/A
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
benzoic acid
65-85-0
O=C(O)c1ccccc1
6,6-dimethyl-2-(2-chlorophenyl)-6H-pyran[3’,2’:3,4]naphto [2,1-d]oxazol
#N/A
#N/A
#N/A
brucine chloromethochloride
#N/A
#N/A
#N/A
8-(3-hydroxy-2,2-dimethylpropyl)-7-methoxy-2H-chromen-2-one
#N/A
#N/A
#N/A
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
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
4-(3-methylbut-2-enyl)-2-phenylnaphtho[1,2-d]oxazol-5-ol
#N/A
#N/A
#N/A
5-[(7',8'-dihydroxy-3',8'-dimethyl-2-nonadienyl)oxy] psoralen
#N/A
#N/A
#N/A
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
juglone
481-39-0
#N/A
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O
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 Buffer: CC12CCC3CC3(C1CC(=O)C4=C2C(=C5C(=C4O)CC(O5)CO)O)C
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
pelargonidin-3-rutincoside
#N/A
#N/A
#N/A
ketoprofen
22071-15-4
#N/A
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
6,6-dimethyl-2-m-toluyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol
#N/A
#N/A
#N/A
coelonin
82344-82-9
#N/A
COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)O
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
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
longifolione C
#N/A
#N/A
#N/A
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
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
3-hydroxytyrosol
10597-60-1
#N/A
C1=CC(=C(C=C1CCO)O)O
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
3-chloromandelic acid
16273-37-3
#N/A
C1=CC(=CC(=C1)Cl)C(C(=O)O)O
tenuazonic acid
610-88-8
#N/A
CCC(C)C1C(=C(C(=O)N1)C(=O)C)O
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
ibuprofen
15687-27-1
#N/A
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
tetrazole
288-94-8
#N/A
C1=NNN=N1
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+]
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
(+)-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
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
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
2-(4-isopropylphenyl)-4-(3-methylbut-2-enyl)naphtho[1,2-d] oxazol-5-ol
#N/A
#N/A
#N/A
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
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
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
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
deoxyshikonin
43043-74-9
#N/A
CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C
ducloudine A
#N/A
#N/A
#N/A
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
epicatechin-3-gallate-(4β→8, 2β→O→7)-epicatechin-3-gallate dimer
#N/A
#N/A
#N/A
compound 4
#N/A
#N/A
#N/A
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
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
3-O-methylpyridoxine
633-72-7
#N/A
CC1=NC=C(C(=C1OC)CO)CO
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
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
6,6-dimethyl-2-phenyl-6H-pyran[3’,2’:3,4]naphtho[2,1-d] oxazol
#N/A
#N/A
#N/A
oleocanthal (mixture of isomers)
289030-99-5
#N/A
CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O
myristic acid
544-63-8
#N/A
CCCCCCCCCCCCCC(=O)O
ustilaginoidin H
#N/A
#N/A
#N/A
alternariol
641-38-3
#N/A
CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O
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
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
3,4'-dihydroxy-5,5'-dimethoxybibenzyl
83088-28-2
#N/A
#N/A
geranyl acetale
#N/A
#N/A
#N/A
sophora flavanone G
#N/A
#N/A
#N/A
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
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
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
4-bromomandelic acid
6940-50-7
#N/A
C1=CC(=CC=C1C(C(=O)O)O)Br
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
compound 3
#N/A
#N/A
#N/A
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
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
6-hydroxy-2-benzoxazolinone
78213-03-3
#N/A
C1=CC2=C(C=C1O)OC(=O)N2
urolithin B
1139-83-9
#N/A
C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)OC2=O
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
4-hydroxy-3-methoxymandelic acid
55-10-7
#N/A
COC1=C(C=CC(=C1)C(C(=O)O)O)O
galangin
548-83-4
#N/A
C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
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
kaempferol 3-O-α[apiofuranosyl-(1 → 2)]-α-rhamnopyranoside
#N/A
#N/A
#N/A
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
2-hydroxyl-3-methyl-1-methoxyl anthraquinone
#N/A
#N/A
#N/A
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
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
3-o-acetyl-16α-hydroxydehydrotrametenolic acid
#N/A
#N/A
#N/A
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
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
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
compound 7
#N/A
#N/A
#N/A
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
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
kaempferol 7–O–α–L–rhamnopyranoside
#N/A
#N/A
#N/A
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
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
1-O-β-ᴅ-glucopyranosyl-8-O-benzoylpaeonisuffrone
#N/A
#N/A
#N/A
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
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 Buffer: CC12CCC3CC3(C1CC(=O)C4=C2C(=C5C(=C4O)CC(O5)CO)O)C
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
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
compound 5
#N/A
#N/A
#N/A
longifolione E
#N/A
#N/A
#N/A
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
officinalin
#N/A
#N/A
#N/A
5-[(6',7'-dihydroxy-3',7'-dimethyl-2-octenyl) oxy] psoralen
#N/A
#N/A
#N/A
compound 1
#N/A
#N/A
#N/A
(-)-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
sophoratonkin
#N/A
#N/A
#N/A
orchinol
41060-20-2
#N/A
COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)OC
1,2,3,6-tetra-O-galloyl-β-D-pyranglucose
#N/A
#N/A
#N/A
1-[(1-methylethyl)amino]-3-(3-methylphenoxy)-2-propanol
2933-94-0
#N/A
CC1=CC(=CC=C1)OCC(CNC(C)C)O
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
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
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
tripalmitin
555-44-2
#N/A
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
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
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
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
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
1,2,6-tri-O-galloyl-β-D-pyranglucose
#N/A
#N/A
#N/A
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
kaempferol 3-O-α[apiofuranosyl-(1 → 2)]-β-galactopyranoside
#N/A
#N/A
#N/A
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
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
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
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
(+)-hesperetin
#N/A
#N/A
#N/A
2-benzoxazolinone
59-49-4
#N/A
C1=CC=C2C(=C1)NC(=O)O2
2-methoxyanofinic acid
179457-70-6
#N/A
CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)O)C
ustilaginoidin J
#N/A
#N/A
#N/A
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
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
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
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
2-methyl-3-hydroxyl anthraquinone
#N/A
#N/A
#N/A
3β,16α-dihydroxylanosta-7, 9(11), 24-trien-21-oic acid
#N/A
#N/A
#N/A
menadione
58-27-5
#N/A
CC1=CC(=O)C2=CC=CC=C2C1=O
2-(4-(dimethylamino)phenyl)-4-(3-methylbut-2-enyl)naphtho [1,2-d]oxazol-5-ol
#N/A
#N/A
#N/A
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
4-(3-methylbut-2-enyl)-2-m-toluylnaphtho[1,2-d]oxazol-5-ol
#N/A
#N/A
#N/A
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
kaempferide
491-54-3
#N/A
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
naproxen (-)-menthol ester
#N/A
#N/A
#N/A
4-O-methylorsellinic acid
#N/A
#N/A
#N/A
compound 2
#N/A
#N/A
#N/A
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