MonarchInit/C3PO huggingface dataset:
Compound: trans-Resveratrol 3-O-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=CC(O)=C2)/C=C/C3=CC=C(O)C=C3)C(O)=O
Compound: (15Z,9'Z)-7,7',8,8',11,12-Hexahydrolycopene
SMILES: C(C\C=C(\CCC=C(C)C)/C)/C(=C/CC/C(/C)=C\C=C\C=C(/C=C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)\C)/C
Compound: trans-Resveratrol 4'-O-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C3=CC(O)=CC(O)=C3)C(O)=O
Compound: Glycerol tribenzoate
SMILES: O(C(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Compound: (E)-4'-Methylresveratrol 3-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=CC=C(OC)C=C3)CO
Compound: Citromitin
SMILES: O1C(CC(=O)C2=C1C(OC)=C(OC)C(OC)=C2OC)C3=CC(OC)=C(OC)C=C3
Compound: Pinostilbenoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C=3C=C(OC)C=C(O)C3)CO
Compound: 2-Arachidonoylglycerophosphocholine
SMILES: P(OCC[N+](C)(C)C)(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO)(O)=O
Compound: Ganoderic acid Mi
SMILES: OC1C2(C(C(C1)C(CC/C=C(/C)\C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(OC)C23)C)C)C
Compound: Ganoderic acid Mj
SMILES: O(C1C=2C3(C(C(CC3)C(C(OC(=O)C)C/C=C(/C)\C(O)=O)C)(CCC2C4(C(C(C(O)CC4)(C)C)C1)C)C)C)C
Compound: 4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne
SMILES: C1OC1\C1=C\C#CC2OC22C=CC=C2C#C1
Compound: hexadecanal
SMILES: [H]C(=O)CCCCCCCCCCCCCCC
Compound: omega-Salicoyisalicin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(COC(=O)C=3C(O)=CC=CC3)=CC=CC2)CO
Compound: Benzyl 2,6-dihydroxybenzoate 2-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=CC2)C(OCC3=CC=CC=C3)=O)CO
Compound: (R)-Apiumetin glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3OC(CC3C=C4C2OC(=O)C=C4)C(C)=C)CO
Compound: Flacourtin
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C=C2)CO)COC(=O)C3=CC=CC=C3
Compound: (E)-Oxyresveratrol 3'-O-b-D-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=C(O)C=C(O)C=C3)CO
Compound: Piceatannol 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)/C=C\C3=CC(O)=CC(O)=C3)CO
Compound: Edulisin VI
SMILES: O1C(OC(C=2OC3=C(C2)C=4OC(=O)C=CC4C=C3)(C)C)C(O)C(O)C(O)C1CO
Compound: Naproxen O-glucuronide
SMILES: O1C(OC(=O)[C@H](C2=CC3=C(C=C2)C=C(OC)C=C3)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
SMILES: OC(CC(O)CCC1=CC(OC)=C(O)C=C1)CCC2=CC(OC)=C(O)C(OC)=C2
Compound: Cohibin A
SMILES: O[C@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)[C@H](O)CC/C=C\CCCCCCCCCCCC
Compound: 6,7-dimethyl-8-(1-D-ribityl)lumazine
SMILES: Cc1nc2c(nc(=O)[nH]c2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C
Compound: Melatonin glucuronide
SMILES: O1C(N2C3=C(C(=C2)CCNC(=O)C)C=C(OC)C=C3)C(O)C(O)C(O)C1C(O)=O
Compound: Cohibin B
SMILES: O[C@H](CCCCCCCCCCC1=C[C@@H](OC1=O)C)[C@H](O)CC/C=C\CCCCCCCCCCCCCC
Compound: cis-Methylbixin
SMILES: O(C(=O)\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C)/C=C/C(OC)=O)/C)\C)\C)C
Compound: trans-Methylbixin
SMILES: O(C(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C=C/C(OC)=O)\C)/C)/C)C
Compound: Heterophylol
SMILES: O1C(C2C(CC3=C(C2)C(=C(OC)C=C3OC)CC=C(C)C)C4=C1C=C(O)C=C4)(C)C
Compound: Tafluprost free acid
SMILES: FC(F)(\C=C\C1C(C(O)CC1O)C/C=C\CCCC(O)=O)COC2=CC=CC=C2
Compound: Pteroside A
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCC2=C(C3=C(C[C@](C3=O)(CO)C)C=C2C)C)CO
Compound: Bipindogulomethyloside
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5O)C)CC4)C)C(O)CC1(C(CC2)C=6COC(=O)C6)C
Compound: Pteroside D
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCC2=C(C3=C([C@H](O)C(C3=O)(C)C)C=C2C)C)CO
Compound: Desglucocheirotoxol
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5O)C)CC4)CO)CCC1(C(CC2)C=6COC(=O)C6)C
Compound: 4-aminophenol
SMILES: Nc1ccc(O)cc1
Compound: Scorzoside
SMILES: O1[C@@]2([C@@]3([C@@](CCC3=C)(C([C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C[C@]2([C@@H](C1=O)C)[H])=C)[H])[H])[H]
Compound: (R)-Kanzonol Y
SMILES: OC(CC1=CC(CC=C(C)C)=C(O)C=C1)C(=O)C=2C=C(CC=C(C)C)C(O)=CC2O
Compound: 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone
SMILES: OC=1C(=C(CCC(=O)C2=C(O)C=C(O)C=C2)C=CC1O)C\C=C(\CCC=C(C)C)/C
Compound: Furohyperforin
SMILES: O1C=2[C@]3(C[C@@H]([C@]([C@](C3=O)(C(=O)C2CC=C(C)C)C(=O)C(C)C)(CCC=C(C)C)C)CC=C(C)C)C[C@]1(C(O)(C)C)[H]
Compound: 8-Hydroxyhyperforin 8,1-hemiacetal
SMILES: O1[C@]2(O)[C@]3([C@@]([C@H](C[C@@]2(C(=O)[C@@]1(C3=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)(CCC=C(C)C)C)C(=O)C(C)C
Compound: Heliocide H1
SMILES: O=C1C2(C(C(C(=CC2)C)CC=C(C)C)C(=O)C=3C1=C(C(C)C)C(O)=C(O)C3C=O)C
Compound: Oxepahyperforin
SMILES: O1C=2[C@@]3([C@@]([C@H](C[C@@](C3=O)(C(=O)C2CC=C(C)C)CC=C(C)C)CC=C(C)C)(CC[C@]1(C(O)(C)C)[H])C)C(=O)C(C)C
Compound: Heliocide H4
SMILES: O=C1C2(C(CC=C(C2CC=C(C)C)C)C(=O)C=3C1=C(C(C)C)C(O)=C(O)C3C=O)C
Compound: Heliocide H2
SMILES: O=C1C2(C(CC(=CC2)CCC=C(C)C)C(=O)C=3C1=C(C(C)C)C(O)=C(O)C3C=O)C
Compound: epsilon,gamma-Caroten-3-ol
SMILES: OC1CC(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=C(/CCC=C(C)C)\C)\C)\C)(C)C
Compound: (S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
SMILES: O1C(C1CC/C(/C)=C/C=C/C(/C)=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(CCCC2C)(C)C)\C)\C)/C)(C)C
Compound: 1,2-Epoxy-1,2-dihydrolycopene
SMILES: O1C(C1CC\C(\C)=C/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
Compound: 5,6-Epoxy-5,6-dihydrolycopene
SMILES: O1C(C1/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)(CCC=C(C)C)C
Compound: Boviquinone 4
SMILES: OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)C(=O)C(O)=CC1=O
Compound: Aleuriaxanthin
SMILES: OC(CC/C(/C)=C\C=C\C(\C)=C\C=C\C(=C/C=C/C=C(/C=C/C=C(\C=C\C=1C(CCCC1C)(C)C)/C)\C)\C)C(C)=C
Compound: (all-E)-Rubixanthin
SMILES: OC1CC(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=C(/CCC=C(C)C)\C)\C)\C)(C)C
Compound: delta-Carotene-1,2-epoxide
SMILES: O1C(C1CC/C(/C)=C\C=C\C(\C)=C\C=C\C(=C/C=C/C=C(/C=C/C=C(\C=C\C2C(CCC=C2C)(C)C)/C)\C)\C)(C)C
Compound: Dulxanthone G
SMILES: O1C(C=CC=2C1=C(OC)C=3OC4=C(C(=O)C3C2O)C(OC)=CC(OC)=C4OC)(C)C
Compound: Dulxanthone H
SMILES: O1C(C=CC2=C1C(OC)=C3OC4=C(C(=O)C3=C2OC)C(O)=CC(OC)=C4OC)(C)C
Compound: Edulone A
SMILES: O1C2=C3C(CCC3=C(C1=O)C)(C4=C(C2=O)C(O)=C(C(O)=C4O)C(COC(=O)C)C)C
Compound: N(6)-methyl-L-lysine
SMILES: CNCCCC[C@H](N)C(O)=O
Compound: Ganoderic acid Me
SMILES: O(C1C2(C(C(C1)C(CC/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(OC(=O)C)CC4)(C)C)CC=C23)C)C)C)C(=O)C
Compound: Ganoderic acid R
SMILES: O([C@H]1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H]([C@@H](OC(=O)C)C/C=C(\C)/C(O)=O)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C)C(=O)C
Compound: (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate
SMILES: O(C1C(C2C(C3C(C4(C(=CC3)C=5C(CC4)(CCC(C5C)C)C(O)=O)C)(CC2)C)(CC1OC(=O)C)C)(C)C)C(=O)C
Compound: Germanicol cinnamate
SMILES: O(C1C(C2C(C3C(C4(C(CC3)C=5C(CC4)(CCC(C5)(C)C)C)C)(CC2)C)(CC1)C)(C)C)C(=O)/C=C/C6=CC=CC=C6
Compound: N-Acetyl gemifloxacin
SMILES: FC1=C(N2CC(NC(=O)C)\C(=N\OC)\C2)N=C3N(C4CC4)C=C(C(=O)C3=C1)C(O)=O
Compound: 3'-Amino-3'-deoxythimidine glucuronide
SMILES: O1C(C(N)CC1N2C=C(C(=O)NC2=O)C)CO[C@H]3[C@H](O)[C@H](OC(O)[C@@H]3O)C(O)=O
Compound: Cudraflavone A
SMILES: O1C(C=CC2=C1C=C3OC4=C(C(OC5=C4C=CC(O)=C5)C=C(C)C)C(=O)C3=C2O)(C)C
Compound: Dihydromorelloflavone
SMILES: O1C(C(C2=C3OC(CC(=O)C3=C(O)C=C2O)C4=CC(O)=C(O)C=C4)C(=O)C=5C1=CC(O)=CC5O)C6=CC=C(O)C=C6
Compound: Piceatannol 4'-galloylglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)/C=C\C3=CC(O)=CC(O)=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4
Compound: Ustiloxin C
SMILES: S(=O)(C=1C=2C(O)C(NC)C(=O)NC(C(=O)NC(C(OC(C2)=C(O)C1)(CC)C)C(=O)NCC(O)=O)C)CCO
Compound: 2-formylbenzoic acid
SMILES: [H]C(=O)c1ccccc1C(O)=O
Compound: Kanzonol F
SMILES: O1[C@@]2([C@](C3=C1C=C4OC(C=CC4=C3)(C)C)(COC5=C2C(OC)=C(C(O)=C5)CC=C(C)C)[H])[H]
Compound: Rumexoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(=C2)C(O)=O)C=C(C(=C3O)C(=O)C)C)CO
Compound: gamma-Chaconine
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](N6[C@@]([C@H]5C)(CC[C@@H](C6)C)[H])(C4)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
Compound: Isomorellic acid
SMILES: O1C2(C34OC5=C(C(=O)C3=CC(CC4C1(C)C)C2=O)C(O)=C6C(OC(C=C6)(C)C)=C5CC=C(C)C)C/C=C(/C)\C(O)=O
Compound: Leptophylloside
SMILES: O(C([C@@]1(OC2=C(C1)C=C3C(OC(=O)C=C3)=C2O)[H])(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
Compound: Apterin
SMILES: O(C([C@]1(OC2=C([C@H]1O)C=3OC(=O)C=CC3C=C2)[H])(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
Compound: Celereoside
SMILES: O(C(C1OC2=C(C1)C(O)=C3C(OC(=O)C=C3)=C2)(C)C)C4OC(C(O)C(O)C4O)CO
Compound: Smyrindioloside
SMILES: O(C([C@]1(OC2=C([C@H]1O)C=C3C(OC(=O)C=C3)=C2)[H])(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
Compound: (1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside
SMILES: O1C(OCC(O)(C2OC3=C(C2)C=C4C(OC(=O)C=C4)=C3)C)C(O)C(O)C(O)C1CO
Compound: Campesteryl caffeate
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)C)C)C)(CC3)C)CC2)(CC1)C)C(=O)/C=C\C5=CC(O)=C(O)C=C5
Compound: Cholesteryl ferulate
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)CC2)(CC1)C)C(=O)/C=C/C5=CC(OC)=C(O)C=C5
Compound: 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
SMILES: O1C2C(C(OC(=O)/C(/C)=C/C)CC(OC)(C(OC)CC(=O)C(C2)CO)C)C(C1=O)=C
Compound: Kanzonol H
SMILES: O1C(CCC=2C1=CC=3OC[C@](CC3C2OC)(C4=C(O)C(=C(O)C=C4)CC=C(C)C)[H])(C)C
Compound: Heliocide B2
SMILES: O=C1C2(C(CC(=CC2)CCC=C(C)C)C(=O)C=3C1=C(C(C)C)C(OC)=C(O)C3C=O)C
Compound: Annotemoyin 1
SMILES: O1C(CCC1C(O)CCCCCCCCCC)C(O)CCCCCCCCCCCCCCC2=CC(OC2=O)C
Compound: Panatellin
SMILES: O1C(CCC1C(O)CCCCCCCCCCC2=CC(OC2=O)C)C(O)CCCCCCCCCCCCCC
Compound: cis-Solamin
SMILES: O1[C@](CC[C@]1([C@@H](O)CCCCCCCCCCCC)[H])([C@H](O)CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)[H]
Compound: Prostaglandin PGE2 glyceryl ester
SMILES: O[C@@H]1[C@H]([C@@H](C(=O)C1)C/C=C\CCCC(OC(CO)CO)=O)/C=C/[C@@H](O)CCCCC
Compound: 25-Cinnamoyl-vulgaroside
SMILES: OC1(C(C2(C(C3(C(C(CCC3)(C)C)CC2)C)CC1)C)CC(O)C=4C(OC(=O)C4)OC(=O)/C=C/C5=CC=CC=C5)CO
Compound: Lucuminoside
SMILES: O1C(C(O)C(O)C(O)C1OC(C2=CC=CC=C2)C#N)COC3OCC(O)C(O)C3O
Compound: 1,5-dihydroriboflavin
SMILES: Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Compound: Citrusin B
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C(O)C(OC3=C(OC)C=C(C=C3OC)/C=C\CO)CO)C=C2)CO
Compound: Ceanothine E
SMILES: O1C(C(NC(=O)C(N(C)C)CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC=CC3=CC=C1C=C3)C4=CC=CC=C4
Compound: 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphate
SMILES: P(OC[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: (3R,3'R,6'R,9-cis)-Carotene-3,3'-diol
SMILES: OC1CC([C@@H](C(=C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(\C=C\C=2C(C[C@H](O)CC2C)(C)C)/C)\C)(C)C
Compound: (3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol
SMILES: O[C@@H]1CC([C@@H](C(=C1)C)/C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(C[C@H](O)CC2C)(C)C)/C)/C)(C)C
Compound: (3R,3'R,13-cis)-b,b-Carotene-3,3'-diol
SMILES: 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=2C(C[C@H](O)CC2C)(C)C)/C)/C)(C)C
Compound: (3R,3'R,9-cis)-b,b-Carotene-3,3'-diol
SMILES: 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=2C(C[C@H](O)CC2C)(C)C)/C)\C)(C)C
Compound: 6-Hydroxydaidzein 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC(O)=C(O)C4)CO
Compound: 1,8-Dihydroxy-3-hydroxymethylanthraquinone 8-O-b-D-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)CO)C=CC2)CO
Compound: Isogenistein 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C=4C(O)=CC=CC4)CO
Compound: (3R,3'R,15-cis)-b,b-Carotene-3,3'-diol
SMILES: 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=2C(C[C@H](O)CC2C)(C)C)\C)\C)(C)C
Compound: (3R,3'S,6'R)-b,e-Carotene-3,3'-diol
SMILES: O[C@H]1CC([C@H](C(=C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@H](O)CC2C)(C)C)\C)\C)(C)C
Compound: w-O-beta-D-Glucopyranosylaloeemodin
SMILES: O1C(C(O)C(O)C(O)C1OCC2=CC3=C(C(O)=C2)C(=O)C4=C(C3=O)C=CC=C4O)CO
Compound: (3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol
SMILES: OC1CC([C@@H](C(=C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C=C\C=C(\C=C\C=2C(C[C@H](O)CC2C)(C)C)/C)/C)(C)C
Compound: 1-O-beta-D-Glucopyranosylaloeemodin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(C=C(C2)CO)C(=O)C4=C(C3=O)C(O)=CC=C4)CO
Compound: Cryptoxanthin epoxide
SMILES: O1C2(C1(CC(O)CC2(C)C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CCCC3C)(C)C)\C)\C
Compound: (5R,5'R,6S,8'R)-Luteochrome
SMILES: O1C2(C1(CCCC2(C)C)C)\C=C/C(/C)=C\C=C\C(\C)=C\C=C/C=C(/C=C/C=C(\C3OC4(C(C(CCC4)(C)C)=C3)C)/C)\C
Compound: Genistein 5-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(OC=C(C3=O)C4=CC=C(O)C=C4)C=C(O)C2)CO
Compound: Glucoemodin
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC3=C(C(O)=C2)C(=O)C4=C(C3=O)C=C(C=C4O)C)CO
Compound: 6-C-Fucosylluteolin
SMILES: O1C(C(O)C(O)C(O)C1C)C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O
Compound: cortisol 21-acetate
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(C)=O
Compound: Cryptoflavin
SMILES: O1C2(C(C(CCC2)(C)C)=CC1/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CC(O)CC3C)(C)C)\C)\C)C
Compound: Aurochrome
SMILES: O1C2(C(C(CCC2)(C)C)=CC1/C(/C)=C\C=C/C(/C)=C/C=C\C=C(\C=C\C=C(/C3OC4(C(C(CCC4)(C)C)=C3)C)\C)/C)C
Compound: Kaempferol 3-O-alpha-L-rhamnofuranoside
SMILES: O1C(C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C
Compound: Apigenin 4'-O-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO
Compound: Dihydrodaidzein 7-O-glucuronide
SMILES: O1[C@@H](OC2=CC=3OCC(C(=O)C3C=C2)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Isozeaxanthin
SMILES: OC1CCC(C(=C1C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(CCC(O)C2C)(C)C)/C)/C)(C)C
Compound: Cryptocapsin
SMILES: O[C@H]1CC([C@](C1)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(CCCC2C)(C)C)/C)/C)(C)C
Compound: 5',6'-Epoxy-5',6'-dihydro-beta,beta-caroten-3-ol
SMILES: O1C2(C1(CCCC2(C)C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CC(O)CC3C)(C)C)\C)\C
Compound: Trichocarposide
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=CC=CC2)CO)COC(=O)/C=C/C3=CC=C(O)C=C3
Compound: Muricin D
SMILES: O1[C@@](CC[C@H]1CCCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)([C@@H](O)CCC(O)C(O)CCCCCCC)[H]
Compound: 3-nitroacrylic acid
SMILES: OC(=O)\C=C\[N+]([O-])=O
Compound: 3-Methoxynobiletin
SMILES: O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3
Compound: 4'-O-Methylglucoliquiritigenin
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=3OC(CC(=O)C3C=C2)C4=CC=C(OC)C=C4)CO
Compound: (3S,3'S,all-E)-Zeaxanthin
SMILES: 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=2C(C[C@@H](O)CC2C)(C)C)\C)\C)(C)C
Compound: Pinostrobin 5-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(CC3=O)C4=CC=CC=C4)C=C(OC)C2)CO
Compound: Ganodermic acid P2
SMILES: O(C1C2(C(C(C1)C(C(OC(=O)C)C/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(O)CC4)(C)C)CC=C23)C)C)C)C(=O)C
Compound: Ganoderic acid Mk
SMILES: OC1C2(C(C(C1)C(C(OC(=O)C)C/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(OC(=O)C)CC4)(C)C)CC=C23)C)C)C
Compound: 3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid
SMILES: O(C1C2(C(C(C1)C(C(O)C/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(OC(=O)C)CC4)(C)C)CC=C23)C)C)C)C(=O)C
Compound: Luteolinidin 3-O-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C([O+]=C(C=C3)C4=CC(O)=C(O)C=C4)C=C(O)C2)CO
Compound: Pelargonidin 3-galactoside
SMILES: [Cl-].O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO
Compound: Hericenone F
SMILES: O1C(CCC=2C1=C(C(=CC2OC)COC(=O)CCCCCCCCCCCCCCC)C=O)(CC(=O)C=C(C)C)C
Compound: 3-hydroxycyclohexanone
SMILES: OC1CCCC(=O)C1
Compound: Cyanidin 3-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C
Compound: Peonidin 3-arabinoside
SMILES: [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H](O)C1
Compound: Petunidin 3-arabinoside
SMILES: [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)[C@H](O)[C@@H](O)[C@@H](O)C1
Compound: Pelargonidin 5-galactoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(=[O+]C(=C(O)C3)C4=CC=C(O)C=C4)C=C(O)C2)CO
Compound: Isopeonidin 3-arabinoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(OC)C=C4)CO
Compound: Isopeonidin 3-xyloside
SMILES: O1[C@@H]([C@H](O)[C@@H](O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(OC)C=C4)CO
Compound: Peonidin 3-xyloside
SMILES: O1[C@@H]([C@H](O)[C@@H](O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO
Compound: Ganoderic acid W
SMILES: O(C1C2(C(C(C1)C(CC/C=C(/C)\C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(O)C23)C)C)C)C(=O)C
Compound: Myristicanol A
SMILES: O(C(C(O)C1=CC(OC)=C(OC)C(OC)=C1)C)C2=C(OC)C=C(C=C2OC)/C=C\CO
Compound: 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone
SMILES: O1C(CC(=O)C2=C1C=CC(=C2N)C(=O)CC(NC(=O)C)COC(=O)CCCCCCCCCCCCC(C)C)(C)C
Compound: (3,4-dihydroxyphenyl)acetate
SMILES: Oc1ccc(CC([O-])=O)cc1O
Compound: (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside
SMILES: O(C1CC2C(C3C(C4C(C(CC4)C(C)/C=C/C(CC)C(C)=C)(CC3)C)=CC2)(CC1)C)C5OC(C(O)C(O)C5O)CO
Compound: Ganoderic acid alpha
SMILES: O[C@H]1[C@@]2([C@@]([C@](C1)([C@@H](CC(=O)CC(C)C(O)=O)C)[H])(C(OC(=O)C)C(=O)C=3[C@@]4(C(C([C@@H](O)CC4)(C)C)CC(=O)C23)C)C)C
Compound: Ganoderic acid K
SMILES: O(C1C2(C(C3=C(C4(C(C(C(O)CC4)(C)C)CC3O)C)C1=O)(C(=O)CC2C(CC(=O)CC(C)C(O)=O)C)C)C)C(=O)C
Compound: Silica aerogel
SMILES: S(CC(=O)C1=CC=C(OC)C=C1)C2=NC(SCC(=O)C3=CC=C(C=C3)C)=NC(=C2)C
Compound: Loquatoside
SMILES: O(C1C(OC=2C(C1O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O
Compound: 4-O-8',5'-5''-Dehydrotriferulic acid
SMILES: O(C=1C(O)=C(C2=C(O)C(OC)=CC(=C2)/C=C/C(O)=O)C=C(C1)/C=C(\OC3=C(OC)C=C(C=C3)/C=C/C(O)=O)/C(O)=O)C
Compound: (all-E)-6'-Apo-y-caroten-6'-al
SMILES: O=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
Compound: Terniflorin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5
Compound: 2''-O-p-Coumaroylvitexin
SMILES: O1C(C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1CO)C=3C=4OC(=CC(=O)C4C(O)=CC3O)C5=CC=C(O)C=C5
Compound: Genistein 7-O-(2-p-coumaroylglucoside)
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C1OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(O)C=C5)CO
Compound: all-trans-heptaprenyl diphosphate
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
Compound: Genistein 5-O-glucuronide
SMILES: O1[C@@H](OC=2C3=C(OC=C(C3=O)C4=CC=C(O)C=C4)C=C(O)C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Genistein 7-O-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C(O)=O
Compound: Anhydroamarouciaxanthin B
SMILES: 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(=O)\C=C/2\C(CC(=O)C=C2C)(C)C)\C)\C)(C)C
Compound: 7-Hydroxy-8-O-methylaloin B
SMILES: O1C(C2C3=C(C(=O)C4=C2C=CC(O)=C4OC)C(O)=CC(=C3)CO)C(O)C(O)C(O)C1CO
Compound: Aromadendrin 4'-methyl ether 7-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C
Compound: Piperenol C
SMILES: O(C1C(OC(=O)C)C(OC(=O)C)C=C(C1OC(=O)C)COC(=O)C2=CC=CC=C2)C(=O)C
Compound: C.I. Food Red 6
SMILES: S([O-])(=O)(=O)C=1C=C2C(=C(/N=N/C3=C(C=C(C(=C3)C)C)C)C1O)C=CC(S([O-])(=O)=O)=C2.[Na+].[Na+]
Compound: Artonin T
SMILES: O1C(C2C=3C1=C(O)C(=C(O)C3C=4OC=5C(C(=O)C4C2)=C(O)C=C(OC)C5)CC=C(C)C)(C)C
Compound: Cajaisoflavone
SMILES: O1C(C=CC2=C1C=C3OC=C(C(=O)C3=C2O)C=4C(O)=C(CC=C(C)C)C(O)=CC4OC)(C)C
Compound: Murisolin
SMILES: O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCCCC)[H])([C@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)[H]
Compound: 5-methyltetrahydropteroyltri-L-glutamic acid
SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Compound: Muricin H
SMILES: O1[C@](CC[C@@H]1CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)([C@H](O)CCCCC(O)C(O)CCCCCCC)[H]
Compound: Corossoline
SMILES: O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCCCC)[H])([C@H](O)CCCC[C@H](O)CCCCCCCC2=C[C@@H](OC2=O)C)[H]
Compound: Dihydroisocycloartomunin
SMILES: O1C2=C(C(OC=3C2=CC(OC)=C(O)C3)C=C(C)C)C(=O)C=4C1=C(CC=C(C)C)C(O)=CC4O
Compound: Cycloaltilisin
SMILES: O1C2=C(C(OC=3C2=CC(O)=C(OC)C3)C=C(C)C)C(=O)C=4C1=C(CC=C(C)C)C(O)=CC4O
Compound: cis-Murisolinone
SMILES: O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCCC)[H])([C@H](O)CCCCCCCCCC[C@H]2OC(=O)[C@H](C2)CC(=O)C)[H]
Compound: (14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide
SMILES: O1C23C(C(O)(C1(C4OC(=O)C(=C(C4)C)C)C)CC2)(CCC5C3CC=C6C5(C)C(=O)CC=C6)C
Compound: Stearyl monoglyceridyl citrate
SMILES: OC(CC(O)=O)(CC(O)=O)CC(O)=O.OC(=O)CCCCCCCCCCCCCCCCC.OC(CO)CO
Compound: Nb-Arachidoyltryptamine
SMILES: O=C(NCCC=1C=2C(NC1)=CC=CC2)CCCCCCCCCCCCCCCCCCC
Compound: Epicatechin 3-O-(4-methylgallate)
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(OC)C(O)=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C=C4
Compound: Lucidenic acid M
SMILES: OC1C2(C(C(C1)C(CCC(O)=O)C)(CC(=O)C=3C4(C(C(C(O)CC4)(C)C)CC(O)C23)C)C)C
Compound: PSF-A
SMILES: O1C2(C1C3OC(=O)C(C3C(OC(=O)C4(OC4C)C)C(OC(=O)C)C(=CCC2)C(OC)=O)=C)C
Compound: (3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
SMILES: OC1C2(C(C=3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C=O)C)CC3)C)(C1)C)CC(C(O)C2OC(=O)/C(/C)=C/C)(C)C)CO
Compound: Ganoderic acid Md
SMILES: O(C1C=2C3(C(C(CC3)C(C(OC(=O)C)C/C=C(/C)\C(O)=O)C)(CCC2C4(C(C(C(OC(=O)C)CC4)(C)C)C1)C)C)C)C
Compound: 18-Dehydroursolic acid 3-arabinoside
SMILES: O([C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=CC3)C=5[C@@](CC4)(CC[C@H](C5C)C)C(O)=O)C)(CC2)C)(CC1)C)(C)C)[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O
Compound: 3-alpha-Androstanediol glucuronide
SMILES: O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C
Compound: Hydratopyrrhoxanthinol
SMILES: OC1(C(CC(O)CC1(O)C)(C)C)/C=C/C2=C\C(\OC2=O)=C/C(/C)=C/C=C\C=C\C=C(/C#CC=3C(CC(O)CC3C)(C)C)\C
Compound: 25-Hydroxyvitamin D2-25-glucuronide
SMILES: O(C([C@H](\C=C\[C@H]([C@@]1([C@@]2(C(CC1)/C(/CCC2)=C/C=C\3/CC(O)CCC3=C)C)[H])C)C)(C)C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
Compound: Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate
SMILES: O(C(=O)\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
Compound: Reticulataxanthin
SMILES: OC1CC(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\C(=O)C)/C)(C)C
Compound: (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside
SMILES: O1OC23C(C4C1(C5C(C(CC5)C(C)/C=C/C(C(C)C)C)(CC4)C)C=C2)(CCC(OC6OC(C(O)C(O)C6O)CO)C3)C
Compound: all-trans-retinyl palmitate
SMILES: CCCCCCCCCCCCCCCC(=O)OC\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
Compound: Eremopetasitenin C2
SMILES: S(\C=C\C(OC1C(C2(C(CC3(OC(=O)C(=C3C2OC(=O)/C(/C)=C/C)C)OC)CC1)C)C)=O)C
Compound: Eremopetasitenin D2
SMILES: S(\C=C\C(OC1C(C2(C(CC3(OC(=O)C(=C3C2OC(=O)/C(/C)=C\C)C)OC)CC1)C)C)=O)C
Compound: Erinacine D
SMILES: O(C1C2(C(C=3C(CC2)(CCC3C(C)C)C)CC(OCC)C(=C1)C=O)C)C4OCC(O)C(O)C4O
Compound: Feruloyl-beta-sitosterol
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)/C=C/C5=CC(OC)=C(O)C=C5
Compound: Polyporusterone A
SMILES: O[C@]12[C@@]([C@](CC1)([C@@](O)([C@H](O)C[C@@H](C(C)C)C)C)[H])(CC[C@@]3([C@@]4([C@@](C[C@@H](O)[C@@H](O)C4)(C(=O)C=C23)[H])C)[H])C
Compound: PC-M5'
SMILES: O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@]([C@H](OC(=O)C)C=C26)(C(O)(C)C)[H])[H])C
Compound: Isosilychristin
SMILES: O1C(C(C2=C(C3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)C=CC(O)=C12)CO)C5=CC(OC)=C(O)C=C5
Compound: ax-4''-Hydroxy-3-'-methoxymaysin
SMILES: O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)C)C5OC(C(O)C(O)C5O)C
Compound: Isomargaritene
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC)C=C4)C=C2O)[H])CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: Isowertin 2''-rhamnoside
SMILES: O(C1C(O)C(O)C(OC1C=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)C
Compound: L-fuculose
SMILES: C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
Compound: Margaritene
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(OC)C=C4)[H])CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: Austalide I
SMILES: O1[C@@]2([C@@]([C@@]3([C@@]([C@H](OC(=O)C)C2)(C(OC(=O)CC3)(C)C)[H])C)(CC4=C1C(=C5C(=C4OC)C(OC5)=O)C)[H])C
Compound: 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate
SMILES: O([C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](CCCCC)[C@H](O)C/C=C\CCCCCCCC(O)=O
Compound: 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide
SMILES: O([C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](CCCCCCCC(O)=O)[C@H](O)C/C=C\CCCCC
Compound: 9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate
SMILES: O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@H]([C@@H](O)CCCCCCCC(O)=O)C/C=C\CCCCC
Compound: cis-Uvariamicin IB
SMILES: O1C(CCC1C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCC2=CC(OC2=O)C
Compound: Reticulatain 2
SMILES: O1C(CCC1COCCCCCCCCCCCCCCCCC2=CC(OC2=O)C)C(O)CCCCCCCCCC
Compound: cis-Uvariamicin IV
SMILES: O1C(CCC1C(O)CCCCCCCCCCC2=CC(OC2=O)C)C(O)CCCCCCCCCCCCCCCC
Compound: Neoreticulatacin A
SMILES: O1C(CCC1C(O)CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC2=CC(OC2=O)C
Compound: Didymin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
Compound: bis-D-fructose 2',1:2,1'-dianhydride
SMILES: OC[C@H]1O[C@]2(CO[C@@]3(CO2)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]1O
Compound: Postin
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@H]2NCCC2
Compound: (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside
SMILES: OC1C(C2(C(C3C(C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4)C)CC2)C1)C)C(O)C
Compound: Squamocin B
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCCCCC3=CC(OC3=O)C)CCC1C(O)CCCC(O)CCCCCC
Compound: Squamolinone
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCC)CCC1C(O)CCCCCCCCCCC3OC(=O)C(C3)CC(=O)C
Compound: 6-Hydroxydesacetyluvaricin (incorr.)
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCC)CCC1C(O)CCCCCCCCC(O)CCCC3=CC(OC3=O)C
Compound: Muricin F
SMILES: O1[C@@H](CC[C@]1([C@@H](O)CC/C=C\CC(O)C(O)CCCC)[H])CCCCCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C
Compound: Cavipetin B
SMILES: O(C\C(=C\CC/C(=C/CC/C(=C/CC/C(/C)=C/COC(=O)/C=C/C(O)=O)/C)/C)\C)C(=O)/C=C/C(O)=O
Compound: 28-Hydroxywithanolide E
SMILES: O1[C@@]23[C@]([C@@]4([C@]([C@@]5(O)[C@@]([C@@](O)(CC5)[C@@](O)([C@@]6(OC(=O)C(=C(C6)CO)C)[H])C)(CC4)C)(C[C@@]12[H])[H])[H])(C)C(=O)C=CC3
Compound: Muricin G
SMILES: O1[C@@](CC[C@]1([C@@H](O)CC/C=C\CCCCCCCC)[H])([C@H](O)CCCCC(O)CCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)[H]
Compound: Withaperuvin G
SMILES: O1[C@@]23[C@@]([C@@]4([C@]([C@@]5(O)[C@@]([C@@](O)(CC5)[C@](O)([C@@]6(OC(=O)C(=C(C6)C)C)[H])C)(CC4)C)(C[C@@]12[H])[H])[H])(C(=O)[C@@H]7O[C@@H]7C3)C
Compound: 4-(3-methylbut-2-enyl)-L-tryptophan
SMILES: CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12
Compound: Parviflorin
SMILES: O1[C@@]([C@@]2(O[C@](CC2)([C@H](O)CCCCCCCCCC)[H])[H])(CC[C@@]1([C@H](O)CCCCCCCC[C@@H](O)CC3=C[C@@H](OC3=O)C)[H])[H]
Compound: 4beta-Hydroxywithanolide E
SMILES: O1[C@@]23[C@]([C@@]4([C@]([C@@]5(O)[C@@]([C@@](O)(CC5)[C@@](O)([C@@]6(OC(=O)C(=C(C6)C)C)[H])C)(CC4)C)(C[C@@]12[H])[H])[H])(C)C(=O)C=C[C@@H]3O
Compound: Ixocarpalactone B
SMILES: O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@@]([C@@]6([C@@](O[C@@]7(OC(=O)[C@@H]([C@H]7C)C)[C@@H](O)[C@@]6(O)C)(C5)[H])[H])(CC4)C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=C[C@@H]3O
Compound: Atemoyacin B
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCCCCC3=CC(OC3=O)C)CCC1C(O)CCCCC(O)CCCCC
Compound: Withaperuvin F
SMILES: O1C2C3(O)C(C4C(C2)C=5C(C(O)(CC5)C(O)(C6OC(=O)C(=C(C6)C)C)C)(CC4)C)(C(=O)CC1C3O)C
Compound: Neuromedin N (1-4)
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H]([C@@H](CC)C)C(O)=O)[C@H](N)[C@@H](CC)C
Compound: 2'',6''-Di-O-acetylononin
SMILES: O1C(C(O)C(O)C(OC(=O)C)C1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)COC(=O)C
Compound: Lucidenic acid D2
SMILES: O([C@H]1[C@]2([C@](C3=C([C@@]4([C@](C(C(=O)CC4)(C)C)(CC3=O)[H])C)C1=O)(C(=O)C[C@@]2([C@@H](CCC(O)=O)C)[H])C)C)C(=O)C
Compound: Karpoxanthin
SMILES: O[C@@]1(C(C[C@H](O)C[C@]1(O)C)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@H](O)CC2C)(C)C)\C)\C
Compound: Glycinoeclepin C
SMILES: O1[C@]2([C@]([C@]3(C(=C2)C(=C(C[C@H]3O)C[C@]45O[C@](C(C4=O)(C)C)(CC5)[H])C(O)=O)C)([C@@H](C[C@@H]1/C=C(\C)/C(O)=O)C)C)[H]
Compound: trans-ferulic acid
SMILES: COc1cc(\C=C\C(O)=O)ccc1O
Compound: Flavidulol C
SMILES: O(C1=C2C(CC(=CCCC(=CC2)C)C)=C(O)C(C=3C(O)=C4C(CC=C(CCC=C(C4)C)C)=C(OC)C3)=C1)C
Compound: 6-Epikarpoxanthin
SMILES: OC1(C(CC(O)CC1(O)C)(C)C)/C=C/C(/C)=C/C=C\C(\C)=C\C=C\C=C(/C=C\C=C(/C=C\C=2C(CC(O)CC2C)(C)C)\C)\C
Compound: Oryzanol A
SMILES: O(C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CCC=C(C)C)C)C)C)CC2)CC1)(C)C)C(=O)/C=C/C6=CC(OC)=C(O)C=C6
Compound: Janthitrem E
SMILES: O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC6=C(C5)C=7[C@]([C@@H]6O)(C(OC(C7)(C)C)(C)C)[H])[H])C)(CC[C@@]8(O[C@@]([C@H](O)C=C28)(C(O)(C)C)[H])[H])C
Compound: 1,4-Di-O-caffeoylquinic acid
SMILES: O(C1(C[C@@H](O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O)C1)C(O)=O)C(=O)/C=C/C3=CC(O)=C(O)C=C3
Compound: Formononetin 7-(6''-malonylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O
Compound: 2'',3''-Diacetylcosmosiin
SMILES: O1C(C(O)C(OC(=O)C)C(OC(=O)C)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO
Compound: Cycloartanyl ferulate
SMILES: O(C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CCCC(C)C)C)C)C)CC2)CC1)(C)C)C(=O)/C=C/C6=CC(OC)=C(O)C=C6
Compound: 3'',4''-Diacetylcosmosiin
SMILES: O1C(C(OC(=O)C)C(OC(=O)C)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO
Compound: 2'',4''-Diacetylafzelin
SMILES: O1C(C(OC(=O)C)C(O)C(OC(=O)C)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C
Compound: FMN
SMILES: C12=NC(NC(C1=NC=3C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)=CC(=C(C3)C)C)=O)=O
Compound: 3'',4''-Diacetylafzelin
SMILES: O1C(C(OC(=O)C)C(OC(=O)C)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C
Compound: Metabolite M6
SMILES: O[C@H](CN1[C@H](CNCC1)C(=O)NC(C)(C)C)C[C@H](C(=O)N[C@H]2[C@@H](O)CC=3C2=CC=CC3)CC4=CC=CC=C4
Compound: Squamocin L
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCCCC)CCC1C(O)CCCCCCCCCCCCC3=CC(OC3=O)C
Compound: Rollidecin D
SMILES: O1[C@]([C@]2(O[C@@H](CC2)CCCCCCCCC[C@@H](O)CC3=C[C@@H](OC3=O)C)[H])(CC[C@@]1([C@H](O)CCCCCCCCCCCC)[H])[H]
Compound: cis-Reticulatacin-10-one
SMILES: O1C(CCC1C(O)CCCCCCC(=O)CCCCCCCC2=CC(OC2=O)C)C(O)CCCCCCCCCCCC
Compound: Neoannonin B
SMILES: O1C(C2OC(CC2)C(O)CCCCCCCCCCCC)CCC1C(O)CCCCCCCCCCC3=CC(OC3=O)C
Compound: 3,6-Diglucopyranosyl-5,7-dihydroxy-4'-methoxyflavone
SMILES: O1C(C(O)C(O)C(O)C1CO)C=2C(=O)C=3C(O)=C(C4OC(C(O)C(O)C4O)CO)C(O)=CC3OC2C5=CC=C(OC)C=C5
Compound: N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine
SMILES: S(C(CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C)CC(NC(=O)CCC(N)C(O)=O)C(O)=O
Compound: 8-Galactopyranosyl-6-glucopyranosyl-4',5-dihydroxy-7-methoxyflavone
SMILES: O1C([C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)C=2C(OC)=C(C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5
Compound: Isoswertisin 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4
Compound: dUMP
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O
Compound: Diosmetin 8-C-(2''-rhamnosylglucoside)
SMILES: O(C1C(O)C(O)C(OC1C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(OC)C=C4)CO)C5OC(C(O)C(O)C5O)C
Compound: Resveratrol 4'-(2-galloylglucoside)
SMILES: O1C(C(O)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC3=CC=C(C=C3)/C=C\C4=CC(O)=CC(O)=C4)CO
Compound: Chrysoeriol 7-rutinoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C
Compound: Rhamnetin 3-(4-rhamnosylrhamnoside)
SMILES: O(C1C(O)C(O)C(OC1C)OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(O)=C(O)C=C4)C5OC(C(O)C(O)C5O)C
Compound: 3,3'-Bisanigorufone
SMILES: OC1=C(C=2C=3C=4C(=C(C=CC4C=CC3)C5=CC=CC=C5)C(=O)C2O)C=6C=7C(=C(C=CC7C=CC6)C8=CC=CC=C8)C1=O
Compound: Calendoflaside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)C
Compound: Isotectorigenin 4'-glucoside 7-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=C(C=3C(=O)C4=C(OC3)C(OC)=C(OC5OC(C(O)C(O)C5O)C)C=C4O)C=C2)CO
Compound: Muricatenol
SMILES: OC(CCCCCCCCCCCCCCC)C(O)CC/C=C\CCCC(O)CCCCCC(O)CC1=CC(OC1=O)C
Compound: Campesteryl p-coumarate
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)C)C)C)(CC3)C)CC2)(CC1)C)C(=O)/C=C\C5=CC=C(O)C=C5
Compound: Ganoderic acid H
SMILES: O(C1C2(C(C3=C(C4(C(C(C(O)CC4)(C)C)CC3=O)C)C1=O)(C(=O)CC2C(CC(=O)CC(C)C(O)=O)C)C)C)C(=O)C
Compound: Mulberrofuran P
SMILES: O1C2(OC3=C(C=4C2=C(C=5C1=CC(=CC5O)C=6OC7=C(C6)C=CC=C7O)C=C(C4O)C)C=CC(O)=C3)C8=C(O)C=C(O)C=C8
Compound: alpha-Spinasterol 3-glucoside
SMILES: O(C1CC2C(C3C(C4C(C(CC4)C(C)/C=C/C(C(C)C)CC)(CC3)C)=CC2)(CC1)C)C5OC(C(O)C(O)C5O)CO
Compound: Clerosterol 3-glucoside
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(CC)C(C)=C)C)(CC3)C)CC2)(CC1)C)C5OC(C(O)C(O)C5O)CO
Compound: Tocophersolan
SMILES: O1C(CCCC(CCCC(CCCC(C)C)C)C)(CCC2=C1C(=C(C(OC(=O)CCC(OCCO)=O)=C2C)C)C)C
Compound: Stigmasteryl glucoside
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@H](C(C)C)CC)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)CO
Compound: Quercetin 3-(2-galloylglucoside)
SMILES: O1C(C(O)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO
Compound: Crassostrea Secocarotenoid
SMILES: O1C2(C(CC1CC2(O)C)(C)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C(=O)CC3(OC(CC3C)CC(=O)C)C)/C)/C
Compound: (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one
SMILES: O1C2(C(CC1CC2(O)C)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C(/O)=C/C(=O)C3(C(C(O)CC3)(C)C)C)\C)\C
Compound: (3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one
SMILES: OC1CC(C(C1)(C)C(=O)/C=C(\[O-])/C(/C)=C/[CH+]\C=C(/C)\C=C\C=C\C(=C\C=C\C(=C/C=C2C(CC(O)CC2(O)C)(C)C)\C)\C)(C)C
Compound: Oryzanol C
SMILES: O([C@@H]1C([C@]2([C@@]3([C@@]4(C3)[C@]([C@]5([C@](CC4)([C@](CC5)([C@@H](CCC(C(C)C)=C)C)[H])C)C)(CC2)[H])CC1)[H])(C)C)C(=O)/C=C/C6=CC(OC)=C(O)C=C6
Compound: Rustoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)C5OCC(O)C(O)C5O
Compound: 6''-p-Coumaroylprunin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5
Compound: 19-Methoxypomolic acid 3-arabinoside
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5(O)C)C)C(OC)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OCC(O)C(O)C6O
Compound: Graveobioside A
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC[C@@](O)([C@H]5O)CO
Compound: Kaempferol 3-xylosylglucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@H]5O[C@@H]([C@H](O)[C@H]5O)CO
Compound: 3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol
SMILES: O1C2(C(CC1CC2(O)C)(C)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\C3(O)C(CC(O)CC3(O)C)(C)C)/C)/C
Compound: Quercetin 3-arabinoside 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=C(OC4OCC(O)C(O)C4O)C(=O)C3=C(O)C2)C5=CC(O)=C(O)C=C5)CO
Compound: Quercetin 3-glucoside 7-xyloside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OCC(O)C(O)C4O)C3)C5=CC(O)=C(O)C=C5)CO
Compound: Quercetin 3-lathyroside
SMILES: O(C1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)C(O)[C@H]5O
Compound: (1alpha,3beta,20S,22R,24S,25S)-Pubescenin
SMILES: O1C2(CC(OC(=O)C12C)C(C3C4(C(C5C(C6(C(=CC5)CC(OC7OC(C(O)C(O)C7O)CO)CC6O)C)CC4)CC3)C)C)C
Compound: dUTP
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Compound: Physagulin D
SMILES: O[C@@H]1[C@@]2([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@@]5(OC(=O)C(=C(C5)C)CO)[H])C)[H])(CC3)C)[H])(CC=C2C[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C1)[H])[H])C
Compound: Eriodictyol 7-(6-galloylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5
Compound: Fasciculic acid A
SMILES: O([C@@H]1C[C@]2([C@](C([C@H]1O)(C)C)(CCC=3[C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](O)C(O)(C)C)C)[H])(CCC23)C)C)[H])C)C(=O)CC(O)(CC(O)=O)C
Compound: (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside
SMILES: O(C1C2C3(C(C(CC3)C(CC(O)C=C(C)C)C)(CCC2(C4C(=C1)C(C(O)CC4)(C)C)C)C)C)C5OC(C(O)C(O)C5O)CO
Compound: Soyasapogenol B 24-O-b-D-glucoside
SMILES: OC1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(COC6OC(C(O)C(O)C6O)CO)C
Compound: Ginsenoside Rh4
SMILES: O([C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@]([C@H](O)C3)([C@H](CC4)/C(/C)=C/CC=C(C)C)[H])C)(C1)C)[H])(CC[C@H](O)C2(C)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: ADP-ribose 1"-2" cyclic phosphate
SMILES: P1(OC2C(O)[C@H](OC2O1)COP(OP(OC[C@H]3O[C@@H](N4C5=NC=NC(N)=C5N=C4)[C@H](O)[C@@H]3O)(O)=O)(O)=O)(O)=O
Compound: Neferine
SMILES: O(C=1C=C2[C@H](N(CCC2=CC1OC)C)CC3=CC=C(OC)C=C3)C=4C=C(C[C@H]5N(CCC=6C5=CC(OC)=C(OC)C6)C)C=CC4O
Compound: Ponasteroside A
SMILES: O[C@]12[C@@]([C@](CC1)([C@@](O)([C@H](O)CCC(C)C)C)[H])(CC[C@@]3([C@@]4([C@@](C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@@H](O)C4)(C(=O)C=C23)[H])C)[H])C
Compound: Coagulin R 3-glucoside
SMILES: O1C23C(C(O)(C1(C4OC(=O)C(=C(C4)C)C)C)CC2)(CCC5C3CC=C6C5(C(=O)CC(OC7OC(C(O)C(O)C7O)CO)C6)C)C
Compound: citraconic acid
SMILES: C\C(=C\C(O)=O)C(O)=O
Compound: Gossypetin 8-glucuronide 3-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(OC4OC(C(O)C(O)C4O)C(O)=O)=C(O)C=C(O)C3C2=O)C5=CC(O)=C(O)C=C5)CO
Compound: Momordicoside G
SMILES: O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO)C3(C)C)[H]
Compound: 28-Glucopyranosyl-3-methyloleanolic acid
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C
Compound: Maslinic acid 3-O-b-D-glucoside
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1O)C)(C)C)C6OC(C(O)C(O)C6O)CO
Compound: Lucyoside Q
SMILES: OC1C(C2C(C3C(C4(C(C5C(CC4)(CC(O)C(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C
Compound: Momordicoside L
SMILES: O([C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](C/C=C/C(O)(C)C)C)[H])(CC[C@]2([C@]4(C(=C1)C([C@@H](O)CC4)(C)C)[H])C=O)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: 28-Glucosylpomolate
SMILES: OC1(C2C=3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C)C)CC3)C)(CCC2(CCC1C)C(OC6OC(C(O)C(O)C6O)CO)=O)C)C
Compound: Soyasapogenol B 3-O-b-D-glucuronide
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(O)C(O)C6O)C(O)=O
Compound: 2'',3''-Di-O-p-coumaroylafzelin
SMILES: O1C(C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)/C=C/C3=CC=C(O)C=C3)C1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)C
Compound: N1,N5,N10-Tris-trans-p-coumaroylspermine
SMILES: O=C(N(CCCCN(CCCN)C(=O)/C=C/C1=CC=C(O)C=C1)CCCNC(=O)/C=C/C2=CC=C(O)C=C2)/C=C/C3=CC=C(O)C=C3
Compound: ferroheme b
SMILES: CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Fe--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2
Compound: Galactosylceramide (d18:1/12:0)
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(NC(=O)CCCCCCCCCCC)C(O)/C=C\CCCCCCCCCCCCC)CO
Compound: Nummularine A
SMILES: O1C2C(N(CC2)C(=O)C(NC(=O)C(NC)CC3=CC=CC=C3)CC(C)C)C(=O)NC(C(CC)C)C(=O)NC=CC=4C=C1C=CC4OC
Compound: Phytolaccoside A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C(OC)=O)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OCC(O)C(O)C6O
Compound: Tragopogonsaponin A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(C(O)C4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(O)C6O)C(O)=O
Compound: Lyciumoside III
SMILES: O1C(OC(C(O)(C)C)CC/C(=C/CC\C(=C\CCC(OC2OC(C(O)C(O)C2O)CO)(C)C=C)\C)/C)C(O)C(O)C(O)C1CO
Compound: 2a-Hydroxygypsogenin 3-O-b-D-glucoside
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1O)C)(C)C=O)C6OC(C(O)C(O)C6O)CO
Compound: Momordicoside K
SMILES: O([C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC[C@]2([C@]4(C(=C1)C([C@@H](O)CC4)(C)C)[H])C=O)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: Goyaglycoside a
SMILES: O1C23C(C4(C(C5(C(C(CC5)C(C/C=C/C(O)(C)C)C)(CC4)C)C)C=C2)C1OC)CCC(OC6OC(C(O)C(O)C6O)CO)C3(C)C
Compound: Arjunolic acid 3-glucoside
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1O)C)(CO)C)C6OC(C(O)C(O)C6O)CO
Compound: Lucyoside N
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CC(O)C(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(O)C(O)C6O)CO
Compound: 2-aminoacetaldehyde
SMILES: C(C(=O)[H])N
Compound: SM(d18:0/12:0)
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: beta-Sitosterol palmitate
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)C)CC)C)(CC3)C)CC2)(CC1)C)C(=O)CCCCCCCCCCCCCCC
Compound: Acidissiminin
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C(CC=C(C)C)/C(/C)=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1
Compound: Campesteryl elaidate
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)C)C)C)(CC3)C)CC2)(CC1)C)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: alpha-Amyrin palmitate
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@H]([C@@H]5C)C)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)C(=O)CCCCCCCCCCCCCCC
Compound: Notoginsenoside T2
SMILES: O(C1C2C(C3C(C4(C(C(O)C3)C(CC4)/C(/C)=C/C(OC)C5OC5(C)C)C)(C1)C)(CCC(O)C2(C)C)C)C6OC(C(O)C(O)C6O)CO
Compound: Artonin D
SMILES: O=C(C1C(CC(=CC1C=2C(O)=C(C=CC2O)C(=O)/C=C/C3=C(O)C=C(O)C=C3)C)C4=C(O)C=C(O)C=C4)C5=C(O)C6=C(OC(C=C6)(C)C)C=C5
Compound: Cucurbitacin I 2-glucoside
SMILES: OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(O)(C)C
Compound: Plastoquinone 8
SMILES: O=C1C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)/C)/C)/C)/C)/C)=CC(=O)C(=C1C)C
Compound: Erythrodiol 3-palmitate
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)CO)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)C(=O)CCCCCCCCCCCCCCC
Compound: Faradiol palmitate
SMILES: OC1CC2(C3(C(C4(C(CC3)C(C(OC(=O)CCCCCCCCCCCCCCC)CC4)(C)C)C)CCC2C5C1(CC=C(C5C)C)C)C)C
Compound: 7-Epizucchini factor A
SMILES: OC1C=2C3(C(C4C(CC3)(CCC(C4)(COC(=O)C5=CC=CC=C5)C)C)(CCC2C6(C(C1)C(C(OC(=O)C7=CC=C(N)C=C7)CC6)(C)C)C)C)C
Compound: Cyclopassifloside II
SMILES: OC1C23C4(C2)C(C5(C(CC4)(C(CC5)C(CCC(O)(C(C)C)CO)C)C)C)CCC3C(C(O)C1)(C)C(OC6OC(C(O)C(O)C6O)CO)=O
Compound: Cyclopassifloside I
SMILES: OC1C23C4(C2)C(C5(C(CC4)(C(CC5)C(C(O)CC(O)(C(C)C)CO)C)C)C)CCC3C(C(O)C1)(C)C(OC6OC(C(O)C(O)C6O)CO)=O
Compound: Cyclopassifloside IV
SMILES: OC1C23C4(C2)C(C5(C(CC4)(C(CC5)C(O)(CCC(O)(C(C)C)CO)C)C)C)CCC3C(C(O)C1)(C)C(OC6OC(C(O)C(O)C6O)CO)=O
Compound: Cyclopassifloside X
SMILES: OC1C23C4(C2)C(C5(C(CC4)(C(C(O)C5)C(CCC(O)(C(C)C)CO)C)C)C)CCC3C(C(O)C1)(C)C(OC6OC(C(O)C(O)C6O)CO)=O
Compound: Ramontoside
SMILES: O([C@H]1[C@H](OC)[C@@H](OC)[C@@H](OC1)OC2=C3C(=C(C=4C2=CC(OC)=C(OC)C4)C5=CC=6OCOC6C=C5)C(OC3)=O)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
Compound: Convalloside
SMILES: O[C@@]12[C@]3([C@@]([C@@]4([C@](O)(CC3)C[C@@H](O[C@@H]5O[C@H]([C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[C@@H](O)[C@H]5O)C)CC4)C=O)(CC[C@@]1([C@H](CC2)C=7COC(=O)C7)C)[H])[H]
Compound: Lupeoside
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(C)=C)C)CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(OC7OCC(O)C(O)C7O)C(O)C6O)CO
Compound: Torvonin A
SMILES: O1C2C(C3(C(C4C(C5(C(C(O)C4)CC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C)C)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: kanamycin A
SMILES: NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Bismurrayafoline E
SMILES: OC1=C(C=2C=3NC4=C(C3C=C(C2O)C)C=CC(OC)=C4C/C=C(/CCC=C(C)C)\C)C=5NC6=C(C5C=C1C)C=CC(OC)=C6C/C=C(/CCC=C(C)C)\C
Compound: Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one
SMILES: O=C1C=2C3(C(C4C(CC3)(CCC(C4)(COC(=O)C5=CC=C(OC)C=C5)C)C)(CCC2C6(C(C(C(OC(=O)C7=CC=C(OC)C=C7)CC6)(C)C)C1)C)C)C
Compound: Smilanippin A
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)C)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: 1,2-Di-O-myristoyl-3-O-(6-sulfoquinovopyranosyl)glycerol
SMILES: S(O)(=O)(=O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(O)C(O)C1O
Compound: Azythromycin
SMILES: O([C@H]1[C@@H]([C@H](O[C@H]2O[C@@H]([C@@H](O)[C@@](OC)(C2)C)C)[C@H](C(O[C@H]([C@@](O)([C@H](O)[C@@H](N(C[C@H](C[C@@]1(O)C)C)C)C)C)CC)=O)C)C)[C@H]3O[C@H](C[C@@H](N(C)C)[C@@H]3O)C
Compound: 1,28-Dicaffeoyloctacosanediol
SMILES: O(CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(O)=C(O)C=C1)C(=O)/C=C/C2=CC(O)=C(O)C=C2
Compound: Hebevinoside VI
SMILES: O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3O)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO
Compound: Pelargonidin 3-sophoroside 5-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO
Compound: Peonidin 3-sambubioside 5-glucoside
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC=2C=C3C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC(OC)=C(O)C=C5)CO)[C@@H]6O[C@@H]([C@H](O)[C@H]6O)CO
Compound: Spinacoside D
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@H](OCC(O)=O)C(O)=O)[C@H]6O)C(O)=O
Compound: alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp
SMILES: OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
Compound: (20E)-Ginsenoside F4
SMILES: O([C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@]([C@H](O)C3)([C@H](CC4)/C(/C)=C\CC=C(C)C)[H])C)(C1)C)[H])(CC[C@H](O)C2(C)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CO
Compound: Hebevinoside X
SMILES: O([C@@H]1C([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3OC)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO
Compound: Ginsenoside Rg6
SMILES: O([C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@]([C@H](O)C3)([C@H](CC4)C(CCC=C(C)C)=C)[H])C)(C1)C)[H])(CC[C@H](O)C2(C)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CO
Compound: Ginsenoside F5
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@]([C@@H](O)C3)(C([C@@H](O)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@]2([C@@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@H]([C@H](O)[C@H]6O)CO)(CCC=C(C)C)C)[H])C)[H]
Compound: Notoginsenoside R2
SMILES: O([C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](O)(CCC=C(C)C)C)[H])([C@H](O)C3)[H])C)(C1)C)[H])(CC[C@H](O)C2(C)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CO
Compound: Ginsenoside F3
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@]([C@@H](O)C3)(C([C@@H](O)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@]2([C@@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)(CCC=C(C)C)C)[H])C)[H]
Compound: Pseudoginsenoside RT3
SMILES: O(C1C2C(C3C(C4(C(C(CC4)C(OC5OC(C(O)C(O)C5O)CO)(CCC=C(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C6OCC(O)C(O)C6O
Compound: 1,28-Octacosanediol diferulate
SMILES: O(CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(O)=C(OC)C=C1)C(=O)/C=C/C2=CC(O)=C(OC)C=C2
Compound: Fumonisin FP2
SMILES: O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCC(O)CC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O
Compound: Fumonisin FP3
SMILES: O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CC(O)CCCCCCC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O
Compound: nitrate
SMILES: [O-][N+]([O-])=O
Compound: Mabioside C
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)(C5=C(COC4=O)[C@H](OC5=O)CC=C(C)C)[H])C)(CC2)C)[H])(CC1)C)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C
Compound: Betavulgaroside IV
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@H](OCC(O)=O)[C@H](O)C(O)=O)[C@H]6O)C(O)=O
Compound: (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H]([C@H](OC(=O)C4=CC(O)=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(O)=C4)CC3=C(O)C2)C6=CC(O)=C(O)C(O)=C6)CO
Compound: Licoricesaponin B2
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C(O)=O)C)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O
Compound: Centellasaponin B
SMILES: OC1C2C(C3C(C4(C(C5C(CC4)(CCC(C5C)C)C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)=O)=CC3)C)(C1)C)(CC(O)C(O)C2(CO)C)C
Compound: Lucyoside M
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C=O)C7OC(C(O)C(O)C7O)COC(=O)C
Compound: Hovenidulcioside A1
SMILES: O1CC2(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)C)CO)CC4)(C)C)C)CCC2C(C(OC(=O)C)CC7OC(=O)C(=C7)C)C)C)CC1=O
Compound: 3-O-Sulfogalactosylceramide (d18:1/22:0)
SMILES: S(OC1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C1O)CO)(O)(=O)=O
Compound: Momordin Ie
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC8OCC(O)C(O)C8O)C(O)=O
Compound: Ampeloside Bs1
SMILES: O1C2C(C3(C(C4C(C5(C(C(O)C4)CC(OC6OC(C(OC7OC(C(O)C(OC8OC(C(O)C(O)C8O)CO)C7O)CO)C(O)C6O)CO)C(O)C5)C)CC3)C2)C)C(C19OCC(CC9)C)C