MonarchInit/C3PO huggingface dataset:
Compound: (-)-Epigallocatechin 3-(4-methyl-gallate)
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(O)=C4
Compound: Spinacetin 3-glucoside
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO
Compound: Isoscoparin 2''-(6-(E)-feruloylglucoside) 4'-glucoside
SMILES: O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC(OC)=C(O)C=C7
Compound: (ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid
SMILES: OC1(C2CC3(C(C4(C(CC3)C(CCC4)(C)C(O)=O)C)=CC2)C1)CO
Compound: Spinacetin 3-[p-coumaroyl-(->2)-glucosyl-(1->6)-[apiosyl-(1->2)]-glucoside]
SMILES: O([C@@H]1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@@H](O)[C@H](O)[C@H]5OC(=O)/C=C/C6=CC=C(O)C=C6)CO)[C@@H]7OC[C@@](O)([C@H]7O)CO
Compound: 1'-O-Galloylsucrose
SMILES: O1C(OC2OC(C(O)C(O)C2O)CO)(C(O)C(O)C1CO)COC(=O)C3=CC(O)=C(O)C(O)=C3
Compound: 2''-O-Acetylisoorientin
SMILES: O1[C@](C(OC(=O)C)[C@@H](O)[C@H](O)C1CO)(C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)[H]
Compound: 6-(Methylsulfonyl)hexyl glucosinolate
SMILES: S(C1OC(C(O)C(O)C1O)CO)\C(=N\OS(O)(=O)=O)\CCCCCCS(=O)(=O)C
Compound: 6''-Acetylapiin
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=C(O)C=C4)COC(=O)C)[C@@H]5OC[C@@](O)([C@H]5O)CO
Compound: Maltononaose
SMILES: O1C(C(OC2OC(C(O)C(O)C2O)CO)C(OC3OC(C(O)C(O)C3O)CO)C(OC4OC(C(O)C(O)C4O)CO)C1OC(C(OC5OC(C(O)C(O)C5O)CO)C(OC6OC(C(O)C(O)C6O)CO)C(OC7OC(C(O)C(O)C7O)CO)COC8OC(C(O)C(O)C8O)CO)C=O)CO
Compound: Chrysophanol 1-triglucoside
SMILES: O(C1C(O)C(OC(C1O)CO)OCC2OC(OC=3C4=C(C=C(C3)C)C(=O)C5=C(C4=O)C(O)=CC=C5)C(O)C(O)C2O)C6OC(C(O)C(O)C6O)CO
Compound: 1,2-Dehydro-alpha-cyperone
SMILES: O=C1C(=C2C(CCC(C2)C(C)=C)(C)C=C1)C
Compound: ID11614
SMILES: S1N=C(N2CCNCC2)C=3C1=CC=CC3
Compound: Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside
SMILES: O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC=C(O)C=C7
Compound: 6-beta-D-Glucopyranosyldiosmetin
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(OC)C=C4)C=C2O
Compound: Clovin
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[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)C3)C5=CC(O)=C(O)C=C5)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C
Compound: 1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=CC3=C(C2O)C(=O)C4=C(C3=O)C=C(O)C=C4O)C)CO
Compound: Neoisoliquiritin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C=C2)C(=O)/C=C/C3=CC=C(O)C=C3)CO
Compound: Azaleatin 3-arabinoside
SMILES: O1C(OC2=C(OC3=C(C2=O)C(OC)=CC(O)=C3)C4=CC(O)=C(O)C=C4)C(O)C(O)C(O)C1
Compound: Physalin M
SMILES: O1[C@]23[C@@]4([C@@]5(C[C@@](OC(=O)[C@H]5C)([C@@]3(OC(=O)[C@@]2(O)CC[C@]6([C@]([C@]1(O)C4=O)(CC=C7[C@]6(C)C(=O)CC=C7)[H])[H])C)[H])C)[H]
Compound: 7-Hydroxy-5-methoxy-6,8-dimethylflavanone
SMILES: O1C(CC(=O)C2=C1C(=C(O)C(=C2OC)C)C)C3=CC=CC=C3
Compound: Pratensein 3'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C(C=3C(=O)C=4C(OC3)=CC(O)=CC4O)C=CC2OC)CO
Compound: 6-Glucopyranosylprocyanidin B1
SMILES: O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C2=C(O)C=3[C@@]([C@@H](O)[C@H](OC3C=C2O)C4=CC(O)=C(O)C=C4)(C=5C=6O[C@@H]([C@@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)[H])[H]
Compound: (+)-Catechin 6-C-glucoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(O)C=3CC(O)C(OC3C=C2O)C4=CC(O)=C(O)C=C4
Compound: 6''-O-Caffeoylastragalin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC(O)=C(O)C=C5
Compound: 10-Acetoxyligustroside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]/2OC=C([C@H](\C2=C/COC(=O)C)CC(OCCC3=CC=C(O)C=C3)=O)C(OC)=O)CO
Compound: Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)/C=C/C6=CC=C(O[C@@H]7OC([C@@H](O)[C@H](O)C7O)CO)C=C6
Compound: Isosakuranetin 7-xyloside
SMILES: O1C(OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C(O)C(O)C(O)C1
Compound: 8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
SMILES: O1C(OC=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(OC)C=C4)C(O)C(O)C(O)C1C(O)=O
Compound: (R)-11,12,13-Trinor-1(5),6,9-guaiatrien-8-one
SMILES: O=C1C=C(C=2CCC(C2C=C1)C)C
Compound: alpha-Crocetin glucosyl ester
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)\C(\C)=C\C=C\C(\C)=C/C=C/C=C(/C=C/C=C(/C)\C(O)=O)\C)CO
Compound: L-Agaritine
SMILES: O=C(NNC1=CC=C(C=C1)CO)CCC(N)C(O)=O
Compound: 3-Hydroxyneogrifolin
SMILES: OC1=C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(=CC(O)=C1O)C
Compound: Limocitrin 3-rutinoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: (+)-Catechin 8-C-glucoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4
Compound: 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2OC)C
Compound: Gonyautoxin I
SMILES: S(OC1C(O)(O)C23N(C1)C(N(O)C(C3N=C(N2)N)COC(=O)N)=N)(O)(=O)=O
Compound: 19-Hydroxycinnzeylanol 19-glucoside
SMILES: O1C23C4(O)C5(C1(O)CC(C4(O)CC5(O)C(COC6OC(C(O)C(O)C6O)CO)C)(C2(O)CCC(C3O)C)C)C
Compound: Physcionin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)C)C=C(OC)C2)CO
Compound: Isoorientin 2''-[p-coumaroyl-(->6)-glucoside]
SMILES: O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)CO)C5OC(C(O)C(O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: Torachrysone 8-beta-gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(OC)=C2)C=C(C(=C3O)C(=O)C)C)COC4OC(C(O)C(O)C4O)CO
Compound: Rotundone
SMILES: O=C1C2=C([C@H](C1)C)C[C@@H](CC[C@@H]2C)C(C)=C
Compound: (2R)-1-O-beta-D-Galactopyranosylglycerol
SMILES: O1C(C(O)C(O)C(O)C1OCC(O)CO)CO
Compound: 4',8-Dimethylgossypetin 3-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(O)=C(OC)C=C4)CO
Compound: Sudachiin C
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(OC)=C3OC(=CC(=O)C3=C(O)C2OC)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)(COC=O)C
Compound: Isolindleyin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC3=CC=C(C=C3)CCC(=O)C)CO
Compound: Physalin A
SMILES: O1[C@]23[C@@]4([C@@]5(C[C@@](OC(=O)C5=C)([C@@]3(OC(=O)[C@@]2(O)CC[C@]6([C@]([C@]1(O)C4=O)([C@H](O)C=C7[C@]6(C)C(=O)C=CC7)[H])[H])C)[H])C)[H]
Compound: 3',8-Dimethoxyapigenin 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=3OC(=CC(=O)C3C(O)=C2)C4=CC(OC)=C(O)C=C4)CO
Compound: 3-O-Methylglycyrol
SMILES: O1C=2C3=C(OC)C(=C(OC)C=C3OC(=O)C2C4=C1C=C(O)C=C4)CC=C(C)C
Compound: 7-(4-Carboxy-3-hydroxy-3-methylbutanoyl)sudachitin 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC(=O)CC(O)(CC(O)=O)C)C4OC)CO
Compound: Kaempferol 3-(2G-apiosylrobinobioside)
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)COC5OC(C(O)C(O)C5O)C)C6OCC(O)(C6O)CO
Compound: Atrovirinone
SMILES: O(C=1C(=O)C(=C(CC=C(C)C)C(=O)C1OC)CC=C(C)C)C=2C(=C(O)C=C(O)C2)C(OC)=O
Compound: Isorhamnetin 3-glucoside 4'-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)C)C=C4)CO
Compound: Epicatechin 3-glucoside
SMILES: O1C(OC2C(OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(O)C(O)C1CO
Compound: Sesaminol glucosyl-(1->2)-glucoside
SMILES: O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)=CC=8OCOC8C5
Compound: Dihydroisoalantolactone
SMILES: O1[C@]2([C@](C[C@@]3([C@@](C2)(CCCC3=C)C)[H])([C@@H](C1=O)C)[H])[H]
Compound: 7-O-(4-Hydroxycinnamoyl) astragalin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC(=O)/C=C/C4=CC=C(O)C=C4)C3)C5=CC=C(O)C=C5)CO
Compound: Acetylpanaxydol
SMILES: O1C(C1CC#CC#CC(OC(=O)C)C=C)CCCCCCC
Compound: Egonol gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OCCCC2=CC3=C(OC(=C3)C4=CC=5OCOC5C=C4)C(OC)=C2)COC6OC(C(O)C(O)C6O)CO
Compound: Isomasticadienonalic acid
SMILES: O=C1C(C2C(C3=C(C4(C(C(CC4)C(CC/C=C(\C)/C(O)=O)C=O)(CC3)C)C)CC2)(CC1)C)(C)C
Compound: 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(OC)C(OC)=C4)COC5OC(C(O)C(O)C5O)C
Compound: alpha-camphorene
SMILES: CC(C)=CCCC(=C)C1CCC(CCC=C(C)C)=CC1
Compound: Kaempferol 2G-coumaroylrutinoside
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)COC6OC(C(O)C(O)C6O)C
Compound: Proanthocyanidin A5'
SMILES: O1[C@]2(OC=3C([C@]([C@@H]2O)(C4=C1C=C(O)C5=C4O[C@@H]([C@H](O)C5)C6=CC(O)=C(O)C=C6)[H])=C(O)C=C(O)C3)C7=CC(O)=C(O)C=C7
Compound: 8alpha-13(16),14-Labdadien-8-ol
SMILES: OC1(C(C2(C(C(CCC2)(C)C)CC1)C)CCC(C=C)=C)C
Compound: 4-Hydroxytamoxifen sulfate
SMILES: S(OC1=CC=C(\C(=C(\CC)/C2=CC=CC=C2)\C3=CC=C(OCCN(C)C)C=C3)C=C1)(O)(=O)=O
Compound: 10-Epijunenol
SMILES: OC1C2C(CCC1C(C)C)(CCCC2=C)C
Compound: Taraxasterone
SMILES: O=C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5C)=C)C)CC3)C)(CC2)C)(CC1)C)(C)C
Compound: Pedaliin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=CC2OC)CO
Compound: (R)-Byakangelicin 3'-glucoside
SMILES: O1C(OC(C(O)COC2=C3OC=CC3=C(OC)C4=C2OC(=O)C=C4)(C)C)C(O)C(O)C(O)C1CO
Compound: Procyanidin B3 7-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@](C=2C=3O[C@@H]([C@@H](O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4)(C=5C1=CC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=CC5O)[H])C7=CC(O)=C(O)C=C7
Compound: Carthamidin 6,7-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(CC(=O)C4=C2O)C5=CC=C(O)C=C5)CO
Compound: (-)-Epigallocatechin 7-glucuronide
SMILES: O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: (-)-Epicatechin 8-C-galactoside
SMILES: O1C([C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)C=2C=3O[C@@H]([C@H](O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4
Compound: Hypoletin 8-gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(O)C=C4)COC5OC(C(O)C(O)C5O)CO
Compound: Quercetagitrin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2O)C4=CC(O)=C(O)C=C4)CO
Compound: Isophysalin B
SMILES: O1C23C4C5(CC6OC(=O)C5COC1(C4=O)C7C(CCC2(O)C(OC36C)=O)C8(C(=CC7)C=CCC8=O)C)C
Compound: Avenanthramide 1s
SMILES: O(C1=CC(=CC(OC)=C1O)/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C
Compound: Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)[H])CO)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: 8-Hydroxyluteolin 4'-methyl ether 8-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(OC)C=C4)CO
Compound: Trilobinol
SMILES: OC1=CC2C(CCCC2(C)C)(C=3C1=CC(=C(O)C3)C(C)C)C
Compound: 6alpha-Hydroxyphaseollin
SMILES: O1C2C(O)(C3=C1C=C4C(OC(C=C4)(C)C)=C3)COC5=C2C=CC(O)=C5
Compound: 6'-Malonyltrifolirhizin
SMILES: O1C2C(C=3C1=CC=4OCOC4C3)COC5=C2C=CC(OC6OC(C(O)C(O)C6O)COC(=O)CC(O)=O)=C5
Compound: 6''-O-Malonylnaringin
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)=O)C5OC(C(O)C(O)C5O)C
Compound: (+/-)-Tembamide
SMILES: OC(CNC(=O)C1=CC=CC=C1)C2=CC=C(OC)C=C2
Compound: 8,8'-Methylenebiscatechin
SMILES: O1[C@@H]([C@@H](O)CC2=C1C(CC=3C=4O[C@@H]([C@@H](O)CC4C(O)=CC3O)C5=CC(O)=C(O)C=C5)=C(O)C=C2O)C6=CC(O)=C(O)C=C6
Compound: Germacrone 4,5-epoxide
SMILES: O1C2(C1CC(C(=O)CC(=CCC2)C)=C(C)C)C
Compound: Hebevinoside XII
SMILES: O([C@H]1[C@H]([C@]2([C@@]([C@@]3([C@](CC2)([C@@]4(C(=C[C@@H]3O)C([C@H](O[C@@H]5OC[C@@H](O)[C@H](O)C5O)CC4)(C)C)[H])C)[H])(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@H]([C@@H](OC(=O)C)[C@H](O)[C@@H]6O)CO
Compound: Rhamnetin 3-laminaribioside
SMILES: O([C@H]1[C@H](O)C(O[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(O)=C(O)C=C4)C1O)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: Buddlenoid A
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5
Compound: 5,7-Dimethoxy-6-methylflavanone
SMILES: O1C(CC(=O)C=2C1=CC(OC)=C(C2OC)C)C3=CC=CC=C3
Compound: Irisolidone 7-O-glucuronide
SMILES: O1[C@@H](OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 22alpha-Hydroxyerythrodiol
SMILES: O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)([C@@H](O)CC(C5)(C)C)CO)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C
Compound: 3-O-alpha-L-Arabinopyranosylcinnamtannin B1
SMILES: O1C2(OC=3C(C(C2OC4OCC(O)C(O)C4O)C=5C=6OC(C(O)C(C6C(O)=CC15)C=7C=8OC(C(O)CC8C(O)=CC7O)C9=CC(O)=C(O)C=C9)C%10=CC(O)=C(O)C=C%10)=C(O)C=C(O)C3)C%11=CC(O)=C(O)C=C%11
Compound: Momodicaursenol
SMILES: OC1C(C2C(C3C(C4(C(=CC3)C=5C(CC4)(CCC(C5C)C)C)C)(CC2)C)(CC1)C)(C)C
Compound: Tovophyllin B
SMILES: O1C(C=CC2=C3C(OC=4C(C3=O)=C(O)C5=C(OC(C=C5)(C)C)C4)=C(C(O)=C12)CC=C(C)C)(C)C
Compound: 3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
SMILES: OC1=C(C(C)C)C=C(C2=CC(C(C)C)=C(O)C=C2C)C(=C1O)C
Compound: trans-delta-Viniferin 3''-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(C3C(OC4=C3C=C(C=C4)/C=C/C5=CC(O)=CC(O)=C5)C6=CC=C(O)C=C6)=CC(O)=C2)CO
Compound: Narceinone
SMILES: O1C=2C=C(CCN(C)C)C(=C(OC)C2OC1)C(=O)C(=O)C3=C(C(OC)=C(OC)C=C3)C(O)=O
Compound: Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside
SMILES: O1C(C(OC(=O)C)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C)=CC3O)C
Compound: 3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC(OC)=C(O)C=C4)CO
Compound: Mulberrofuran S
SMILES: O1[C@]2([C@@H](O)[C@](C=3C(=C2)C=4C(OC3C5=C(O)C=C(O)C=C5)=CC(=CC4O)C=6OC7=C(C6)C=CC(O)=C7)(C8=C1C=C(O)C=C8)[H])C
Compound: Cyclohexyl cinnamate
SMILES: O(C1CCCCC1)C(=O)/C=C/C2=CC=CC=C2
Compound: Pipercyclobutanamide B
SMILES: O=C(N1CCCCC1)[C@@H]2[C@H]([C@@H]([C@H]2/C=C/C=C/C3=CC=4OCOC4C=C3)/C=C\C(=O)N5CCCCC5)C6=CC=7OCOC7C=C6
Compound: Deacetylnomilinic acid
SMILES: O1C23C4(C(C(C(CC4=O)C(O)(C)C)(C(O)CC(O)=O)C)CCC2(C(OC(=O)C13)C=5C=COC5)C)C
Compound: 3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside
SMILES: O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=CC2O)C4=CC=C(OC)C=C4)C
Compound: Madasiatic acid
SMILES: OC1C2C(C3C(C4(C(C5C(CC4)(CCC(C5C)C)C(O)=O)=CC3)C)(C1)C)(CC(O)C(O)C2(C)C)C
Compound: Momordicoside E
SMILES: O(C1C(C=2C(C3(C(C4(C(C(CC4)C(C)C=O)(CC3)C)C)CC2)C)CC1)(C)C)C5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO
Compound: gamma-Taraxasterone
SMILES: O=C1C(C2C(C3C(C4(C(C5C(CC4)(CC=C(C5C)C)C)CC3)C)(CC2)C)(CC1)C)(C)C
Compound: Stigmast-4-ene-3,6-dione
SMILES: O=C1C[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC[C@@]2([C@@]4(C1=CC(=O)CC4)C)[H])C)[H])[H]
Compound: Koetjapic acid
SMILES: OC(=O)[C@@]1(C[C@]2(C=3[C@]([C@]4([C@@]([C@]([C@@H](CC4)C(C)=C)(CCC(O)=O)C)(CC3)[H])C)(CC[C@]2(CC1)C)C)[H])C
Compound: Mammea A/AC cyclo F
SMILES: O1C(CC=2C1=C(C(O)=C3C2OC(=O)C=C3C4=CC=CC=C4)C(=O)CCC)C(O)(C)C
Compound: Lucidumol B
SMILES: O[C@@H]1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](O)C(O)(C)C)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C
Compound: Nomilinic acid 17-glucoside
SMILES: O1C2(C3(C(C(C(CC3=O)C(O)(C)C)(C(OC(=O)C)CC(O)=O)C)CCC2(C(OC4OC(C(O)C(O)C4O)CO)C=5C=COC5)C)C)C1C(O)=O
Compound: Nepitrin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)CO
Compound: Cubebinone
SMILES: O1C[C@@H]([C@@H](CC2=CC=3OCOC3C(OC)=C2)C1=O)CC4=CC(OC)=C(OC)C(OC)=C4
Compound: Marasmene
SMILES: O1C[C@@]23[C@](C(CCC2)(C)C)(CC=C4[C@@]3([C@@]1(OC4)[H])[H])[H]
Compound: 1-(3,5-Dihydroxyphenyl)-2-pentadecanone
SMILES: O=C(CCCCCCCCCCCCC)CC1=CC(O)=CC(O)=C1
Compound: (2R)-6,8-Diglucopyranosyl-4',5,7-trihydroxyflavanone
SMILES: O1C(C(O)C(O)C(O)C1CO)C=2C(O)=C(C3OC(C(O)C(O)C3O)CO)C(O)=C4C2OC(CC4=O)C5=CC=C(O)C=C5
Compound: Kaempferol 3-sophoroside 7-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO
Compound: 6''-Caffeoylisoorientin
SMILES: O1C(C(O)C(O)C(O)C1COC(=O)/C=C/C2=CC(O)=C(O)C=C2)C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O)C=C5)C=C3O
Compound: Kaempferol 3-(2''-rhamnosylrutinoside)
SMILES: O(C1C(O)C(O)C(OC1OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)C2O)C)C6OC(C(O)C(O)C6O)C
Compound: 11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin
SMILES: O1C2C3(C(C4(C(C2)C(C=C(OC)C4=O)C)C)C(OC5OC(C(O)C(O)C5O)CO)C(OC)=C(C3CC1OC)C)C
Compound: Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)
SMILES: O(C\C=C(\CCC=C(C)C)/C)C1=CC=C(C=C1)/C=C/C(OC)=O
Compound: Molludistin 2''-rhamnoside
SMILES: O(C1C(OCC(O)C1O)C=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC=C(O)C=C4)C5OC(C(O)C(O)C5O)C
Compound: Neolicuroside
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)[C@@H]4OC[C@@](O)([C@H]4O)CO
Compound: 8-Glucopyranosylprocyanidin B1
SMILES: O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C=2C=3O[C@@H]([C@H](O)[C@](C3C(O)=CC2O)(C=4C=5O[C@@H]([C@@H](O)CC5C(O)=CC4O)C6=CC(O)=C(O)C=C6)[H])C7=CC(O)=C(O)C=C7)[H]
Compound: Isolinderenolide
SMILES: O1C(=O)/C(=C\CCCCCCCCC/C=C\CCCC)/C(O)C1=C
Compound: Aromadendrin 3,7-diglucoside
SMILES: O1C(OC2C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)C(O)C(O)C(O)C1CO
Compound: 8-Glucopyranosylprocyanidin B2
SMILES: O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C=2C=3O[C@@H]([C@H](O)[C@](C3C(O)=CC2O)(C=4C=5O[C@@H]([C@H](O)CC5C(O)=CC4O)C6=CC(O)=C(O)C=C6)[H])C7=CC(O)=C(O)C=C7)[H]
Compound: 8-Acetoxypinoresinol 4-glucoside
SMILES: O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4
Compound: Artocarpetin B
SMILES: O1C=2C(CC=C(C)C)=C(OC)C=C(O)C2C(=O)C=C1C3=C(OC)C=C(O)C=C3
Compound: Kaempferol 5-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=C(O)C3=O)C4=CC=C(O)C=C4)C=C(O)C2)CO
Compound: [10]-Paradol
SMILES: O=C(CCCCCCCCCCC)CCC1=CC(OC)=C(O)C=C1
Compound: Glaudine
SMILES: O1C2C(N(CCC=3C2=CC(OC)=C(OC)C3)C)C4=C(C1OC)C=5OCOC5C=C4
Compound: Rubraflavone D
SMILES: O1C(C=CC2=C1C=C3OC(=C(C(=O)C3=C2O)C/C=C(/CCC=C(C)C)\C)C4=C(O)C=C(O)C=C4)(C)C
Compound: trans-delta-Viniferin
SMILES: O1C(C(C2=C1C=CC(=C2)/C=C/C3=CC(O)=CC(O)=C3)C4=CC(O)=CC(O)=C4)C5=CC=C(O)C=C5
Compound: Moracin H
SMILES: O1C2=C3CC=C(COC3=CC(OC)=C2C=C1C4=CC(O)=CC(O)=C4)C
Compound: Austalide K
SMILES: O1[C@@]2([C@@]([C@@]3([C@](C(C(=O)CC3)(C)C)(CC2)[H])C)(CC4=C1C(=C5C(=C4OC)C(OC5)=O)C)[H])C
Compound: Mangiferoleanone
SMILES: O=C1C2C(C3(C(=C4C(CC3)(CCC(C4)(C)C)C)C1)C)(CCC5C2(CCCC5(C)C)C)C
Compound: Kaempferol 3-(6''-malonylglucoside)-7-glucoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=CC3O)COC(=O)CC(O)=O
Compound: Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
SMILES: O([C@@H]1OC([C@H](O)[C@H](O)C1O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)CO)C3[C@@H](O)[C@H](O)C(O[C@H]3OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)CO
Compound: Rhamnazin 3-sophoroside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)CO
Compound: Neoliquiritin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC=C(O)C=C4)CO
Compound: Cicerin 7-(6-malonylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OCC(C(=O)C3=C(O)C2)C=4C(OC)=CC=5OCOC5C4)COC(=O)CC(O)=O
Compound: Campesteryl ferulate
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)/C=C/C5=CC(OC)=C(O)C=C5
Compound: Ganoderic acid Mf
SMILES: OC1C2(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
Compound: Rosifoliol
SMILES: OC(C1CCC2(C(C(CCC2)C)=C1)C)(C)C
Compound: Quercetin 7-xyloside
SMILES: O1[C@@H](OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)C(O)[C@@H](O)[C@H](O)C1
Compound: Alpha-Hydroxy-tamoxifen-O-glucuronide
SMILES: O1[C@@H](OCN(CCOC2=CC=C(/C(=C(/CC)\C3=CC=CC=C3)/C4=CC=CC=C4)C=C2)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Myricetin 3-(6-acetylgalactoside)
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)C
Compound: cis-Resveratrol 4'-sulfate
SMILES: S(OC1=CC=C(/C=C\C2=CC(O)=CC(O)=C2)C=C1)(O)(=O)=O
Compound: Canavalmine
SMILES: N(CCCNCCCCN)CCCCN
Compound: 3-Phenylpropyl glucosinolate
SMILES: S(C1OC(C(O)C(O)C1O)CO)\C(=N\OS(O)(=O)=O)\CCCC2=CC=CC=C2
Compound: Armillaramide
SMILES: OC(C(O)C(NC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCC
Compound: Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7)CO
Compound: Isomelitric acid A
SMILES: O(C(CC1=CC(O)=C(O)C=C1)C(O)=O)C(=O)/C=C/C2=CC(O/C(=C\C3=CC(O)=C(O)C=C3)/C(O)=O)=C(O)C=C2
Compound: Otobanone
SMILES: O1C=2C=3[C@@H]([C@H]([C@@H](C(=O)C3C=CC2OC1)C)C)C4=CC=5OCOC5C=C4
Compound: 3-Hydroxyglabrol
SMILES: O1[C@@H]([C@@H](O)C(=O)C2=C1C(CC=C(C)C)=C(O)C=C2)C3=CC(=C(O)C=C3)CC=C(C)C
Compound: Phyllanthusol A
SMILES: O1C2C(O)(C(O)C13OCC(C(OC(=O)C4=CC=C(O)C=C4)C3)C)C(O)CC(C2)C(OC5C(OC6OC(C(O)C(O)C6NC(=O)C)CO)C(O)C(O)C(O)C5)=O
Compound: Pavetannin A2
SMILES: O1[C@]2(OC=3C([C@]([C@@H]2O)(C4=C1C=C(O)C5=C4O[C@@H]([C@@H](O)C5)C6=CC(O)=C(O)C=C6)[H])=C(O)C=C(O)C3)C7=CC(O)=C(O)C=C7
Compound: 2-Cinnamoyl-1-galloyl-beta-D-glucopyranose
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=CC=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO
Compound: (+)-12a-Hydroxypachyrrhizone
SMILES: O1C2C(O)(C=3C(OC2)=CC=4OCOC4C3)C(=O)C5=C1C(OC)=C6OC=CC6=C5
Compound: (E)-7-Pentadecene
SMILES: C(CCCC)CC/C=C/CCCCCC
Compound: Pomonic acid
SMILES: OC1(C2C=3C(C4(C(C5(C(CC4)C(C(=O)CC5)(C)C)C)CC3)C)(CCC2(CCC1C)C(O)=O)C)C
Compound: Kaempferol 3-sophoroside 7-glucuronide
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C3)C5=CC=C(O)C=C5)CO)C6OC(C(O)C(O)C6O)CO
Compound: Liquiritic acid
SMILES: O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])=CC3=O)C)(CC2)C)[H])(CC1)C)[H])(C)C
Compound: 7-Hydroxy-5-methoxyflavan
SMILES: O1C(CCC2=C1C=C(O)C=C2OC)C3=CC=CC=C3
Compound: (E)-Resveratrol 3-glucoside 4'-sulfate
SMILES: S(OC1=CC=C(/C=C\C=2C=C(OC3OC(C(O)C(O)C3O)CO)C=C(O)C2)C=C1)(O)(=O)=O
Compound: Brevifolincarboxylic acid 9-sulfate
SMILES: S(OC1=C2C=3C(CC(=O)C3OC(=O)C2=CC(O)=C1O)C(O)=O)(O)(=O)=O
Compound: Rubinic acid
SMILES: O[C@H]1[C@@]2(C([C@@]3(C(C1)C(C(=O)CC3)(C)C)C)CC=C4[C@]2(CC[C@@]5([C@]4([C@H]([C@@H](CC5)C)C)[H])C(O)=O)C)C
Compound: 1,18-Diamino-5,9,14-triazaoctadecane
SMILES: N(CCCCNCCCCN)CCCNCCCCN
Compound: Quercetin 8-C-(2''-rhamnosylglucoside)
SMILES: O(C1C(O)C(O)C(OC1C=2C=3OC(=C(O)C(=O)C3C(O)=CC2O)C4=CC(O)=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)C
Compound: Kaempferol 3-alpha-L-arabinopyranoside
SMILES: O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1
Compound: Licorice glycoside D1
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=C([C@@H]3OC4=C(C(=O)C3)C=CC(O)=C4)C=C2)CO)[C@@H]5OCC(O)([C@@H]5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: 2-Hydroxy-3-oxo-12-oleanen-28-oic acid
SMILES: OC1CC2(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CCC2C(C1=O)(C)C)C)C
Compound: Schaftoside 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(O)C(C3OCC(O)C(O)C3O)=C4OC(=CC(=O)C4=C2O)C5=CC=C(OC6OC(C(O)C(O)C6O)CO)C=C5
Compound: Armillyl everninate
SMILES: O([C@H]1C=2[C@@]([C@@]3([C@@](CC(C3)(C)C)([C@H](O)C2CO)[H])[H])(C1)C)C(=O)C=4C(=CC(OC)=CC4O)C
Compound: Carotamine
SMILES: O=C(NC1=CC(N)=C(C=C1)C(O)=O)C2=CC=C(N)C=C2
Compound: 28-Hydroxy-14-taraxeren-3-one
SMILES: OCC12C(C3(C(C4(C(C5(C(CC4)C(C(=O)CC5)(C)C)C)CC3)C)=CC1)C)CC(CC2)(C)C
Compound: 3-Galloylcatechin
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C=C4
Compound: Crocin 4
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)/C(/C)=C/C=C/C(/C)=C\C=C\C=C(\C=C\C=C(\C)/C(OC)=O)/C)CO
Compound: Kanzonol O
SMILES: O1CC(CC=2C1=C(C(O)=CC2OC)C=O)C3=C4OC(C=CC4=C(O)C=C3)(C)C
Compound: Glu-Arg-Gly-Met-Thr zwitterion
SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H]([C@@H](C)O)C([O-])=O
Compound: 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid
SMILES: CC\C=C/CC1C(CCCCCCCC(O)=O)CCC1=O
Compound: arachidonyl-2'-chloroethylamide
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Compound: 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate
SMILES: CC\C=C/C[C@H]1[C@@H](CCCCCCCC([O-])=O)CCC1=O
Compound: helioxanthin
SMILES: O=C1OCC2=C(C3=CC4=C(OCO4)C=C3)C3=C(C=CC4=C3OCO4)C=C12
Compound: 3'-deoxy-3',4'-didehydro-GTP(4-)
SMILES: [C@@H]1(N2C=3N=C(NC(=O)C3N=C2)N)OC(COP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])=C[C@H]1O
Compound: 3'-deoxy-3',4'-didehydro-UTP(4-)
SMILES: [C@@H]1(N2C(NC(=O)C=C2)=O)OC(COP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])=C[C@H]1O
Compound: 5alpha-androstane-3alpha,17beta-diol 3-glucosiduronate(1-)
SMILES: O[C@@H]1[C@@]2([C@]([C@]3([C@](CC2)([C@@]4([C@](C[C@@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C([O-])=O)O)O)O)(CC3)[H])C)[H])[H])(CC1)[H])C
Compound: Dihydro-3-(2-octenyl)-2,5-furandione
SMILES: O1C(=O)C(C/C=C/CCCCC)CC1=O
Compound: 6-[2,3-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)C=2C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C(O)=C(O)C2)CO
Compound: 8E,10E-dodecadienoic acid
SMILES: OC(=O)CCCCCC/C=C/C=C/C
Compound: 8E-Hydroxy-4,8-dimethyl-4,9-decadienal
SMILES: OC(CC/C=C(/CCC=O)\C)(C)C=C
Compound: (8S,Z)-6-((2R,E)-6-hydroxy-2,5-dimethylhept-4-en-1-ylidene)-8-methyloctahydroindolizin-8-ol
SMILES: OC1(C2N(CCC2)C\C(\C1)=C/C(C/C=C(/C(O)C)\C)C)C
Compound: 11E,13-Tetradecadienal
SMILES: O=CCCCCCCCCC/C=C/C=C
Compound: 5-Taurinomethyl-2-thiouridine
SMILES: S=C1N([C@@H]2O[C@@H](C(O)C2O)CO)C=C(CNCCS(O)(=O)=O)C(=O)N1
Compound: (2Z)-3-phenyl-2-[(sulfooxy)methyl]prop-2-enoic acid
SMILES: S(OC/C(=C/C1=CC=CC=C1)/C(O)=O)(O)(=O)=O
Compound: PS(10:0/10:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 7-tridecenoic acid
SMILES: OC(=O)CCCCC/C=C/CCCCC
Compound: 1-(4-Methylphenyl)ethanol
SMILES: OC(C1=CC=C(C=C1)C)C
Compound: 3,6-dihydroxy-2-(3-methoxyphenyl)-7-(sulfinooxy)-3,4-dihydro-2H-1-benzopyran-5-olate
SMILES: S(OC=1C=C2OC(C(O)CC2=C([O-])C1O)C3=CC(OC)=CC=C3)(O)=O
Compound: (S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]
SMILES: O(C1C(O)C(O)C(OC1OC(CC/C=C(/CCC=C(C)C)\C)(C)C=C)COC2OC(C(O)C(O)C2O)C)C3OC(C(OC4OC(C(O)C(O)C4O)C)C(O)C3O)C
Compound: PS(P-16:0/0:0)
SMILES: P(OC[C@H](O)CO/C=C\CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (2E,4E)-2,4-Decadien-1-ol
SMILES: OC\C=C\C=C\CCCCC
Compound: 1-methylpropyl-tridecanolide
SMILES: O1C(C(CC)C)CCCCCCCCCCCC1=O
Compound: Amaranthussaponin III
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)=C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1O)C)(C)C)C7OC(C(O)C(OC8OC(C(O)C(O)C8O)C)C7O)C(O)=O
Compound: DG(24:0/24:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CO
Compound: PE(16:1(9Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: 2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one
SMILES: O=C1C(C(C2=C1NCCC=C2)C)C
Compound: Licoricesaponin D3
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC(=O)C)CC(C5)(C)C(O)=O)C)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(OC8OC(C(O)C(O)C8O)C)C7O)C(O)=O)C(O)=O
Compound: 6-undecenoic acid
SMILES: OC(=O)CCCC/C=C/CCCC
Compound: Isopropylpyrazine
SMILES: N1=C(C(C)C)C=NC=C1
Compound: 4E,9Z-Tetradecadienal
SMILES: O=CCC\C=C\CCC/C=C\CCCC
Compound: 2-hydroxyhexanoylglycine
SMILES: OC(CCCC)C(=O)NCC(O)=O
Compound: PC(O-17:0/0:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O)COCCCCCCCCCCCCCCCCC)([O-])=O
Compound: Sulfurein
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O/C(/C(=O)C3C=C2)=C\C4=CC(O)=C(O)C=C4)CO
Compound: 5-hydroxyhexanoylglycine
SMILES: OC(CCCC(=O)NCC(O)=O)C
Compound: GM4(d18:1/16:0)
SMILES: O1C([C@H](NC(=O)C)C(O)C[C@]1(O[C@H]2[C@@H](O)C(O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C2O)CO)C(O)=O)[C@H](O)[C@H](O)CO
Compound: 6-hydroxyoct-3-enoylglycine
SMILES: OC(C/C=C/CC(=O)NCC(O)=O)CC
Compound: Quercetin 3-rutinoside-7-glucuronide
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)C(O)=O)C3)C5=CC(O)=C(O)C=C5)CO[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: ({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid
SMILES: S(OCC1OC(C(O)C(O)C1O)C=2C=3OC(C(O)CC3C(O)=CC2O)C=4C(O)=CC(O)=C(O)C4)(O)(=O)=O
Compound: (2-methyl-3-phenylpropoxy)sulfonic acid
SMILES: S(OCC(CC1=CC=CC=C1)C)(O)(=O)=O
Compound: 4-hydroxyhexanoylglycine
SMILES: OC(CCC(=O)NCC(O)=O)CC
Compound: 1-(6-[5]-ladderane-hexanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol
SMILES: O(CCCCCCC1C2C3C(C4C3C5C4CC5)C2C1)C[C@@H](OCCCCCCCCC6CC7C8C(C9C8CC9)C7CC6)CO
Compound: 5-Ethyl-4-methyl-2-pentyloxazole
SMILES: O1C(=NC(=C1CC)C)CCCCC
Compound: Ganoderiol H
SMILES: OC1C(C2C(C3=C(C4(C(C(CC4)C(CCC(O)C(O)(CO)C)C)(CC3)C)C)C(=O)C2)(CC1)C)(C)C
Compound: 2-Phenylethyl 2-aminobenzoate
SMILES: O(CCC1=CC=CC=C1)C(=O)C=2C(N)=CC=CC2
Compound: PG(12:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: N-Nitrosothiazolidine-4-carboxylic acid
SMILES: S1CC(N(N=O)C1)C(O)=O
Compound: PIM1(18:0/16:2(9Z,12Z))
SMILES: P(O[C@H]1[C@H](O[C@H]2OC([C@@H](O)C(O)[C@H]2O)CO)C(O)[C@H](O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
Compound: 12-Dihydrodalbinol
SMILES: O1C2C(O)(C(O)C3=C1C=4CC(OC4C=C3)C(CO)=C)C=5C(OC2)=CC(OC)=C(OC)C5
Compound: PE-Cer(d14:2(4E,6E)/19:0)
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\C=C\CCCCCCC)(OCCN)(O)=O
Compound: Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=CC(O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)COC(=O)/C=C/C5=CC(OC)=C(O)C=C5)=C([O+]=C3C=C(O)C2)C6=CC=C(O)C=C6)COC(=O)CC(O)=O
Compound: PA(14:1(9Z)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: 3'-O-Aminopropyl-25-hydroxyvitamin D3
SMILES: OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OCCCN)CCC3=C)[H])C)[H])C)(C)C
Compound: Ethyl 2-Bromo-2-iodoacetate
SMILES: IC(Br)C(OCC)=O
Compound: PA(13:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: 1,14-Pentadecadien-3-one
SMILES: O=C(CCCCCCCCCCC=C)CC
Compound: 18-Octadecanolide
SMILES: O1CCCCCCCCCCCCCCCCCC1=O
Compound: [9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium
SMILES: OC(=O)C([NH3+])CCC(C1=C(CCC([NH3+])C(O)=O)C=[N+](C=C1CCC([NH3+])C(O)=O)CCCCC([NH3+])C(O)=O)CCCCC([NH3+])C(O)=O
Compound: Adlupone
SMILES: O=C1C(C(O)=C(C(=O)C1(CC=C(C)C)CC=C(C)C)C(=O)C(CC)C)(CC=C(C)C)CC=C(C)C
Compound: Epigallocatechin 3-O-(3,5-di-O-methylgallate)
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC(OC)=C(O)C(OC)=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C(O)=C4
Compound: Methionyl butyrate
SMILES: S(CCCOC(=O)CCC)C
Compound: (5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methyl acetate
SMILES: S1C(C=2SC(=CC2)C#CC=C)=CC=C1COC(=O)C
Compound: pennicitrinone C
SMILES: C[C@H](O)[C@@H](C)C1=C(O)C2=C(C(O)=C1C)C1=C3C(O2)=CC(=O)C(C)=C3[C@H](C)[C@@H](C)O1
Compound: penicitrinol B
SMILES: [H][C@]12O[C@H](C)[C@@H](C)C3=C(C)C(O)=CC(OC4=C1C(=O)C(C)=C1[C@H](C)[C@@H](C)O[C@@]41OC)=C23
Compound: alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->6)]-{alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)}-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: alpha-Methyl-cinnamic acid
SMILES: OC(=O)C(=CC1=CC=CC=C1)C
Compound: (16S,22S)-dihydroxycholesterol
SMILES: [H][C@]1([C@H](C)[C@@H](O)CCC(C)C)[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Compound: ponatinib(1+)
SMILES: C[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
Compound: ponatinib hydrochloride
SMILES: Cl.CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
Compound: (16S)-hydroxy-22-oxocholesterol
SMILES: [H][C@@]12C[C@H](O)[C@]([H])([C@H](C)C(=O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
Compound: Glu-Arg-Gly-Met
SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Compound: Glu-Arg-Gly-Met-Thr
SMILES: CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Compound: acetyl-L-carnitine-d3
SMILES: O([C@@H](C[N+](C)(C)C)CC([O-])=O)C(=O)C([2H])([2H])[2H]
Compound: L-carnitine-d9
SMILES: C([C@@H](CC([O-])=O)O)[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Compound: (22R)-furost-5-en-3beta,22-diol
SMILES: [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CCC(C)C)O2
Compound: (+)-isoborneol
SMILES: [C@]12(C([C@@H](CC1)C[C@@H]2O)(C)C)C
Compound: glycine-13C2,15N
SMILES: O[13C](=O)[13CH2][15NH2]
Compound: lauryl acrylate
SMILES: CCCCCCCCCCCCOC(=O)C=C
Compound: alpha-L-Fucp-(1->3)-{beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)}-beta-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: N-{2-hydroxyethyl}tetradecan-1-amine
SMILES: OCCNCCCCCCCCCCCCCC
Compound: (24R)-Ergost-4-ene-3,6-dione
SMILES: O=C1CC2C3C(C(CC3)C(CCC(C(C)C)C)C)(CCC2C4(C1=CC(=O)CC4)C)C
Compound: 7-Galloylcatechin
SMILES: O1C(C(O)CC=2C1=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=CC2O)C4=CC(O)=C(O)C=C4
Compound: Methyl alpha-d-fructofuranoside
SMILES: O1[C@](OC)([C@@H](O)[C@H](O)[C@H]1CO)CO
Compound: 6-hydroxy-alpha-methylnaphthaleneacetic acid
SMILES: OC(=O)C(C=1C2=C(C=CC1)C=C(O)C=C2)C
Compound: 18alpha-Hydroxyglycyrrhetic acid
SMILES: OC12C=3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C)C)C(=O)C3)C)(CCC1(CCC(C2)(C)C(O)=O)C)C
Compound: Theaflavic acid
SMILES: O1C(C(O)CC=2C1=CC(O)=CC2O)C=3C=4C(C(O)=C(O)C3)=C(O)C(=O)C=C(C4)C(O)=O
Compound: 2-amino-7,10-dimethyldibenzo[b,f][1,4]oxazepin-11(10h)-one
SMILES: O1C2=C(N(C(=O)C3=C1C=CC(N)=C3)C)C=CC(=C2)C
Compound: 21beta-Hydroxyhederagenin
SMILES: OC1C(C2C(C3C(C4(C(C5C(CC4)(CC(O)C(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C
Compound: Piceatannol 3,4'-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)/C=C\C=3C=C(OC4OC(C(O)C(O)C4O)CO)C=C(O)C3)CO
Compound: 3-(2-hydroxyphenyl)-1,1,3-trimethyl-5-indanol
SMILES: OC=1C(C2(CC(C3=C2C=C(O)C=C3)(C)C)C)=CC=CC1
Compound: Isoglabrolide
SMILES: O1C23C(CCC4(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)C(=O)C=C42)C)C)(CCC(C3)(C1=O)C)C
Compound: Quinquenoside I
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@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)COC(=O)/C=C/C)CO)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@]2([C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)(CCC=C(C)C)C)[H])C)[H]
Compound: Methyl 2,5-dihydroxybenzoate
SMILES: O(C(=O)C1=C(O)C=CC(O)=C1)C
Compound: Tambulin 3,5-diacetate
SMILES: O1C2=C(C(OC(=O)C)=CC(OC)=C2OC)C(=O)C(OC(=O)C)=C1C3=CC=C(OC)C=C3
Compound: Typhaneoside
SMILES: O([C@@H]1[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(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C
Compound: Pyropheophytin b
SMILES: O(C(=O)CCC1C(C=2NC1=C3CC(=O)C=4C3=NC(C4C)=CC=5N=C(C=C6N=C(C2)C(=C6C=C)C)C(C5CC)=CO)C)C\C=C(\CC(CC(CCCC(CCCCC)C)C)C)/C
Compound: Ciceritol
SMILES: O([C@@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO
Compound: Coriandrinonediol
SMILES: OC1C2[C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C(C(O)CC4)(C)C)[H])C)(C1)[H])C)(CCC5[C@@]2(C(=O)CCC5(C)C)C)C
Compound: Glucoliquiritin apioside
SMILES: O(C1C(O)C(O)C(OC1OC2=CC=C(C3OC4=C(C(=O)C3)C=CC(OC5OC(C(O)C(O)C5O)CO)=C4)C=C2)CO)C6OCC(O)(C6O)CO
Compound: 16beta-Hydroxystellatogenin
SMILES: O1C2C(C3C4C(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)CC4)C)(CC(O)C3(C2)C1=O)C)C(O)(C)C
Compound: Apigenin 7-[galactosyl-(1->4)-mannoside]
SMILES: O(C1C(O)C(O)C(OC1CO)OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)C5OC(C(O)C(O)C5O)CO
Compound: Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside]
SMILES: O1C(C(O)C(O)C1OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C(O)C
Compound: Torvoside E
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C)C4)(CC(=O)CC5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@@]1(OC)CC[C@@H](CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C)C)[H])[H]
Compound: Arnidenediol
SMILES: O[C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C([C@@H](O)CC5)(C)C)[H])C)(CC3)[H])C)(C1)C)[H])([C@@H](C(CC2)=C)C)[H])C
Compound: Quercetin 7-glucuronide 3-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC3O)C
Compound: (-)-Epicatechin 8-C-glucoside
SMILES: O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C=2C=3O[C@@H]([C@H](O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4
Compound: Galangin 3-[galactosyl-(1->4)-rhamnoside]
SMILES: O(C1C(O)C(O)C(OC1C)OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=CC=C4)C5OC(C(O)C(O)C5O)CO
Compound: Azukisaponin I
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)C(O)=O
Compound: Kaempferol 3-rhamnoside 4'-xyloside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC5OCC(O)C(O)C5O)C=C4)C
Compound: Amasterol
SMILES: OC(C1C2(C(CC1)C=3C(C4(C(=CC3)CC(O)CC4)C)CC2)C)(CCC(C(C)C)=C)C
Compound: 3'-Methoxytricetin 7-glucuronide
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C=4C=C(OC)C(O)=C(O)C4)C(O)=O
Compound: Cyanidin 3-O-(2"-xylosyl-6"-(6"'-caffeoyl-glucosyl)-galactoside)
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](OCC2O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)COC(=O)/C=C/C7=CC(O)=C(O)C=C7
Compound: (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol
SMILES: O[C@]12[C@@]3(C(CC=C2C4[C@@]([C@](CC4)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(CC1)C)C[C@H](O)[C@@H](O)C3)C
Compound: Octadecyl cis-p-coumarate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)/C=C/C1=CC=C(O)C=C1
Compound: Foeniculoside III
SMILES: O1[C@H]([C@@H](C2=C([C@@]3([C@H](OC=4C3=C(C=C(O)C4)/C=C/C5=CC=C(O)C=C5)C6=CC=C(O)C=C6)[H])C=C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C=C12)C=8C=C(O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C=C(O)C8)C%10=CC=C(O)C=C%10
Compound: Faradiol
SMILES: O[C@H]1C[C@]2([C@]3([C@@]([C@@]4([C@@](CC3)(C([C@@H](O)CC4)(C)C)[H])C)(CC[C@@]2([C@@]5([C@@]1(CC=C([C@H]5C)C)C)[H])[H])[H])C)C
Compound: 3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=CC=CC3)C4=CC(O)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(O)C6O)C
Compound: Luteolin 3'-(3''-acetylglucuronide)
SMILES: O1C([C@@H](O)C(OC(=O)C)C(O)[C@@H]1OC=2C=C(C=CC2O)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C(O)=O
Compound: (3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol
SMILES: OC1C(C2C(C3C(C4C(C(CC4)C(C/C=C(/C(C)C)\C)C)(CC3)C)=CC2)(CC1)C)C
Compound: Pollenin B
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(O)=CC(OC)=C3O)C4=CC=C(O)C=C4)CO
Compound: Neochlorogenin
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@]([C@@H](O)C4)(C[C@@H](O)CC5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]16OC[C@H](CC6)C)C)[H])[H]
Compound: Gaylussacin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=C(C(O)=C2)C(O)=O)/C=C/C3=CC=CC=C3)CO
Compound: Cyclocalopin D
SMILES: O1[C@]2(O[C@]3(C[C@]2([C@@]4([C@]1(C(OC[C@H]4C)=O)[H])[H])[C@H](O)C(O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)=C3COC(=O)C)[H])C
Compound: delta5-Demissine
SMILES: O(C1CC=2C(C3C(C4C(C5C(N6C(C5C)CCC(C6)C)C4)(CC3)C)CC2)(CC1)C)C7OC(C(OC8OC(C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(C(O)C(O)C%10O)CO)CO)C(O)C7O)CO
Compound: Stigmast-22-ene-3,6-dione
SMILES: O=C1C2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)C=C[C@H](C(C)C)CC)[H])(CC3)C)[H])(C1)[H])[H])(CCC(=O)C2)C
Compound: Ginsenoside Rh7
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4(C(=C[C@@H]3O)C([C@@H](O)CC4)(C)C)C)(C1)[H])C)(CC[C@@]2([C@@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(CCC=C(C)C)C)[H])C)[H]
Compound: (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
SMILES: CC1OC1(C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21
Compound: Methyl 3-oxo-12-oleanen-28-oate
SMILES: O=C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(OC)=O)=CC3)C)(CC2)C)(CC1)C)(C)C
Compound: (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin
SMILES: O(C(C(O)(C)C)CC/C(/C)=C/COC1=CC=2OC(=O)C=CC2C=C1)C(=O)/C=C/C3=C(O)C=C(OC\C=C(\CCC=C(C)C)/C)C=C3
Compound: (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol
SMILES: O1C23C(C4C(C(O)C12)=C5C(CC4)(C(CC5)C(C)/C=C/C(C(C)C)C)C)(CCC(O)C3)C
Compound: Hesperetin 7-neohesperidoside
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)CO)C5OC(C(O)C(O)C5O)C
Compound: Patuletin 3-gentiobioside
SMILES: O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: Formononetin 7-(2-p-hydroxybenzoylglucoside)
SMILES: O1C(C(O)C(O)C(OC(=O)C2=CC=C(O)C=C2)C1OC3=CC=4OC=C(C(=O)C4C=C3)C5=CC=C(OC)C=C5)CO
Compound: 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=C(O)C=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO
Compound: 4beta-(2-Aminoethylthio)catechin
SMILES: S([C@@H]1[C@H](O)[C@H](OC=2C1=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)CCN
Compound: Isointermedeol
SMILES: OC1(C2C(CCC(C2)C(C)=C)(CCC1)C)C
Compound: Ginsenoside Rh8
SMILES: OC1C2C(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
Compound: 3-Epimasticadienolic acid
SMILES: OC1C(C2C(C3C(C4(C(C(CC4)C(CC/C=C(\C)/C(O)=O)C)(CC3)C)C)=CC2)(CC1)C)(C)C
Compound: Kuwanon Z
SMILES: O1C23C1(OC=4C(C2C(=O)C5(OC6=C(C3C5)C=CC(O)=C6)C)=C(O)C=C(C4)/C=C/C7=C(O)C=C(O)C=C7)C8=C(O)C=C(O)C=C8
Compound: Petunidin 3-rhamnoside 5-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=CC(O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)=C([O+]=C3C=C(O)C2)C=5C=C(OC)C(O)=C(O)C5)CO
Compound: 6-Hydroxy-R-acenocoumarol
SMILES: O1C(=O)C([C@@H](CC(=O)C)C2=CC=C([N+]([O-])=O)C=C2)=C(O)C3=C1C=CC(O)=C3
Compound: Boswellic acid
SMILES: O[C@H]1[C@]([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(O)=O
Compound: Catechin 3',7-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)CC3=C(O)C2)C4=CC(OC5OC(C(O)C(O)C5O)CO)=C(O)C=C4)CO
Compound: 3beta-Hydroxy-28,13-ursanolide
SMILES: O1[C@@]23[C@]([C@]4(C([C@@]5(C(CC4)C([C@@H](O)CC5)(C)C)C)CC2)C)(CC[C@@]6([C@]3([C@H]([C@@H](CC6)C)C)[H])C1=O)C
Compound: (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol
SMILES: OC1C2C(C3=C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)C1)(CCC(O)C2)C
Compound: Lucyoside K
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C=O)C6OC(C(O)C(O)C6O)CO
Compound: 2'',6''-Diacetylorientin
SMILES: O1C(C(OC(=O)C)C(O)C(O)C1COC(=O)C)C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(O)=C(O)C=C4
Compound: 25-Methyl-24-methylenecholesterol
SMILES: OC1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)(C)C)=C)C)(CC3)C)CC2)(CC1)C
Compound: Tectorigenin 4'-sulfate
SMILES: S(OC1=CC=C(C=2C(=O)C3=C(OC2)C=C(O)C(OC)=C3O)C=C1)(O)(=O)=O
Compound: Perillanin
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C3C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: Kaempferol 3-O-glucosyl-(1->2)-rhamnoside
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)C)C5OC(C(O)C(O)C5O)CO
Compound: Ganoderic acid Z
SMILES: O[C@@H]1C([C@]2([C@@](C3=C([C@]4([C@@]([C@](CC4=O)([C@@H](C[C@H](O)/C=C(\C)/C(O)=O)C)[H])(CC3=O)C)C)C(=O)C2)(CC1)C)[H])(C)C
Compound: (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(C3C(OC=4C3=C(C=C(O)C4)/C=C\C5=CC=C(O)C=C5)C6=CC=C(O)C=C6)=CC(OC7OC(C(O)C(O)C7O)CO)=C2)CO
Compound: S-Propyl-L-cysteine
SMILES: S(C[C@H](N)C(O)=O)CCC
Compound: Allivicin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)CO
Compound: Physalin P
SMILES: O1C23C4C5(CC6OC(=O)C5COC4(C7(O)C(CCC2C(OC36C)=O)C8(C(O)(C=C7)CC=CC8=O)C)C1=O)C
Compound: (6beta,24R)-6-Hydroxystigmast-4-en-3-one
SMILES: OC1CC2C3C(C(CC3)C(CCC(C(C)C)CC)C)(CCC2C4(C1=CC(=O)CC4)C)C
Compound: 1H-pyrrole
SMILES: c1cc[nH]c1
Compound: 2''-(6-Acetylglucosyl)astragalin
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)C5OC(C(O)C(O)C5O)COC(=O)C
Compound: (+)-alpha-Bisabolol
SMILES: O[C@@]([C@@]1(CCC(=CC1)C)[H])(CCC=C(C)C)C
Compound: Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)C)C3)C5=CC=C(O)C=C5)COC(=O)C)C6OC(C(O)C(O)C6O)C
Compound: 2'',6''-Di-O-acetylisoorientin
SMILES: O1[C@](C(OC(=O)C)[C@@H](O)[C@H](O)C1COC(=O)C)(C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)[H]
Compound: Stigmasta-4,6-dien-3-one
SMILES: O=C1CCC2(C3C(C4C(C(CC4)C(CCC(C(C)C)CC)C)(CC3)C)C=CC2=C1)C
Compound: Peumoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C(C=3OC=4C(C(=O)C3OC5OCC(O)C(O)C5O)=C(O)C=C(OC)C4)C=CC2O)C
Compound: Betavulgarin glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(C=3C(=O)C=4C(OC3)=CC=5OCOC5C4OC)=CC=CC2)CO
Compound: 2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC=2OC=CC(=O)C2C)COC(=O)/C=C/C3=CC=CC=C3
Compound: Erythrodiol 3-decanoate
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)CO)=CC3)C)(CC2)C)(CC1)C)(C)C)C(=O)CCCCCCCCC
Compound: Ganodermatriol
SMILES: O[C@@H]1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCC=C(CO)CO)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C
Compound: O-Methylcorypalline
SMILES: O(C=1C=C2CCN(CC2=CC1OC)C)C
Compound: Chrysophanol 8-gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)C)C=CC2)COC5OC(C(O)C(O)C5O)CO
Compound: Oxyallobetulin
SMILES: O1C2C3C4C(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)CC4)C)(CCC3(CCC2(C)C)C1=O)C
Compound: Panaxadiol
SMILES: O[C@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C([C@@H](O)CC4)(C)C)[H])C)(C1)[H])C)(CC[C@@]2([C@@]5(OC(CCC5)(C)C)C)[H])C)[H]
Compound: 3'',6''-Di-O-p-coumaroyltrifolin
SMILES: O1C(C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: Pigment A aglycone
SMILES: O1C=2C3=C(C(O)=C1C4=CC(OC)=C(O)C(OC)=C4)C=C(OC3=CC(=[OH+])C2)C5=CC=C(O)C=C5
Compound: Kaempferol 3-(6''-acetylgalactoside) 7-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C)=CC3O)COC(=O)C
Compound: (2alpha,3beta)-20(29)-Lupene-2,3,28-triol
SMILES: OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(C)=C)CO)CC3)C)(CC2)C)(CC1O)C)(C)C
Compound: 2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=CC=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4
Compound: Mandelonitrile rutinoside
SMILES: O1C(C(O)C(O)C(O)C1OC(C2=CC=CC=C2)C#N)COC3OC(C(O)C(O)C3O)C
Compound: Asparagoside C
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)CO)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: Mulberrofuran M
SMILES: O1C2(CC(C=3OC4=C(C3C2=O)C(OC(=O)C5=C(O)C=C(O)C=C5)=CC(=C4)C=6OC7=C(C6)C=CC(O)=C7)C8=C1C=C(O)C=C8)C
Compound: (Z)-Resveratrol 3-(6''-sulfoglucopyranoside)
SMILES: S(OCC1OC(OC2=CC(=CC(O)=C2)/C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)(O)(=O)=O
Compound: Pterosin E
SMILES: O=C1[C@@H](CC2=C1C(=C(C(=C2)C)CC(O)=O)C)C
Compound: (Z)-Resveratrol 3-glucoside 5-sulfate
SMILES: S(OC=1C=C(OC2OC(C(O)C(O)C2O)CO)C=C(C1)/C=C\C3=CC=C(O)C=C3)(O)(=O)=O
Compound: Isophysalin G
SMILES: O1[C@]23[C@]4([C@]5(C[C@@]6(OC(=O)[C@@]5(CO[C@]1(C4=O)[C@@]7([C@@](CC[C@]2(O)C(O[C@]36C)=O)([C@@]8(C(C=C7)=C[C@@H](O)CC8=O)C)[H])[H])[H])[H])C)[H]
Compound: Tricin 7-[rhamnosyl-(1->2)-galacturonide]
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C(OC)=C4)C(O)=O)C5OC(C(O)C(O)C5O)C
Compound: Eremopetasitenin B2
SMILES: S(/C=C\C(OC1C(C2(C(OC(=O)/C(/C)=C/C)C34OC4(OC(=O)C3C)CC2CC1)C)C)=O)C
Compound: Sanguisorbin B
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(O)=O)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[C@H]6OC[C@H](O)[C@H](O)[C@H]6O
Compound: gamma-Taraxastane-3,20-diol
SMILES: OC1(C(C2C3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C)C)CC3)C)(CCC2(CC1)C)C)C)C
Compound: Chinenoside I
SMILES: O1C2C(C3(C(C4C(C5(C(C(=O)C4)CC(OC6OC(C(OC7OCC(O)C(O)C7O)C(O)C6O)COC8OCC(O)C(O)C8O)CC5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: Neobetanin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3C[C@H](N(C3=CC2O)/C=C/C4=CC(=NC(=C4)C(O)=O)C(O)=O)C(O)=O)CO
Compound: Isotheaflavin
SMILES: O1[C@@]([C@H](O)CC=2C1=CC(O)=CC2O)(C=3C4=CC([C@H]5OC=6C(C[C@@H]5O)=C(O)C=C(O)C6)=CC(=O)C(O)=C4C(O)=C(O)C3)[H]
Compound: Licorice glycoside C1
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=C([C@@H]3OC4=C(C(=O)C3)C=CC(O)=C4)C=C2)CO)[C@@H]5OCC(O)([C@@H]5O)COC(=O)/C=C/C6=CC(OC)=C(O)C=C6