MonarchInit/C3PO huggingface dataset:
Compound: Isoliensinine
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(O)=C(OC)C6)C)C=CC4O
Compound: PA(20:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 5-keto palmitic acid
SMILES: O=C(CCCCCCCCCCC)CCCC(O)=O
Compound: Trimidox
SMILES: OC1=CC(=CC(O)=C1O)\C(\N)=N\O
Compound: {3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl}oxidanesulfonic acid
SMILES: S(OC=1C=C(CC(O)CC2=C(O)C=C(O)C=C2O)C=CC1)(O)(=O)=O
Compound: Artoindonesianin T
SMILES: O1C2=C(CC(C3=C2C(O)=CC(OC)=C3O)C(C)=C)C(=O)C=4C1=CC(O)=CC4O
Compound: 13-dimethylarsinoyl-tridecanoic acid
SMILES: [As](=O)(CCCCCCCCCCCCC(O)=O)(C)C
Compound: Hydroxysophoranone
SMILES: O1C(CC(=O)C=2C1=C(CC=C(C)C)C(O)=CC2O)C3=CC(=C(O)C(=C3)CC=C(C)C)CC=C(C)C
Compound: Haploside A
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(O)C=3OC(=C(O)C(=O)C3C(O)=C2)C4=CC(OC)=C(O)C=C4)COC(=O)C
Compound: Broussoflavonol B
SMILES: O1C2=C(C(O)=C(C(O)=C2C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)CC=C(C)C)CC=C(C)C
Compound: 1a,1b-dihomo-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCCCC(O)=O)/C=C/[C@@H](O)CCCCC
Compound: Garcinone E
SMILES: O1C=2C(=C(C(O)=C(O)C2CC=C(C)C)CC=C(C)C)C(=O)C3=C1C=C(O)C(=C3O)CC=C(C)C
Compound: 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
SMILES: O1C(OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)[C@@H](OC(=O)/C=C/CCCCCCC)C(O)[C@@H](O)C1C
Compound: PI(17:0/17:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: PI(O-16:0/20:2(11Z,14Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCC)(O)=O
Compound: S-(9-hydroxy-PGA1)-glutathione
SMILES: S(C1[C@H]([C@H](C(O)C1)CCCCCCC(O)=O)/C=C/[C@@H](O)CCCCC)C[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O
Compound: PS(P-18:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(P-16:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin
SMILES: O1[C@](C(O)C(O)[C@H](O)[C@@H]1COC(=O)CC(O)(CC(O)=O)C)(C=2C(O)=C([C@@]3(OC([C@H](O)[C@H](O)C3O)C)[H])C(O)=C4C2OC(=CC4=O)C5=CC=C(O)C=C5)[H]
Compound: Corylidin
SMILES: O1C(C(O)C(O)C2=C1C=C3OC(=O)C4=C(OC5=C4C=CC(O)=C5)C3=C2)(C)C
Compound: Perindoprilat glucuronide
SMILES: O(C(=O)[C@H]1N([C@@]2([C@](C1)(CCCC2)[H])[H])C(=O)C(NC(CC)C(O)=O)C)[C@@]3(O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C)C(O)=O
Compound: PI(P-20:0/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: 3,4,5-trihydroxy-6-{[3-(3-hydroxy-5-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)CCC=2C=C(OC)C=C(O)C2)C(O)=O
Compound: Zearalenone 4-sulfate
SMILES: S(OC1=CC2=C(C(OC(CCCC(=O)CCCC=C2)C)=O)C(O)=C1)(O)(=O)=O
Compound: OHOOA-PG
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: CAY10487
SMILES: O(C(=O)C(NC(=O)C=CC1=CC(O)=C(O)C=C1)C)C
Compound: 18-acetoxy-PGF2alpha-11-acetate methyl ester
SMILES: O([C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(OC)=O)/C=C/[C@@H](O)CCC(OC(=O)C)CC)C(=O)C
Compound: Diffutidin
SMILES: O1[C@@H](CCC=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC)C=C3
Compound: Isochapelieric acid methyl ester
SMILES: O1C=2C(C(CC(OC)=O)C3=CC=CC=C3)=C4OC(C=CC4=C(O)C2C(=O)[C@H]([C@H]1C)C)(C)C
Compound: Quercetol B
SMILES: O1[C@@H](C[C@@H](OC)C=2C1=C(C(OC)=CC2OC)CC=C(C)C)C3=CC=CC=C3
Compound: PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PS(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Stoloniferone M
SMILES: O1[C@@]23[C@@]([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H]([C@@]6([C@](C6)([C@@H](C(C)C)C)[H])[H])C)[H])(C[C@H]4O)C)[H])(C[C@@]12[H])[H])[H])(C(=O)C[C@H](O)C3)C
Compound: Shoyuflavone C
SMILES: O(C(C(O)C(O)=O)C(O)=O)C1=C(O)C=2OC=C(C(=O)C2C(O)=C1)C3=CC=C(O)C=C3
Compound: Luteolin 5-galactoside
SMILES: O([C@@H]1CC([C@H](O)[C@H](O)C1O)CO)C=2C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C(O)C2
Compound: (3-Methylcrotonyl)glycine methyl ester
SMILES: O(C(=O)CNC(=O)C=C(C)C)C
Compound: methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate
SMILES: O1OC(CC1C2OOC(CCCCCCCC(OC)=O)C=C2)C(OO)CC
Compound: 8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin
SMILES: O1C2=C(C(C3=CC(OC)=C(OC)C=C3)=CC1=O)C(OC)=CC(OC)=C2O
Compound: OHODA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Lyciumin C
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]3N4C=5C(C(=C4)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)C(C)C)CC6=CC=CC=C6)CO)C(OC)=O)=CC=CC5)[C@H]7NC(=O)CC7
Compound: Brosimacutin H
SMILES: OC(C(O)CC=1C(O)=C(C(=O)CCC2=CC=C(O)C=C2)C=CC1O)(C)C
Compound: chlorovulone I
SMILES: ClC1=C[C@](O)(C/C=C\CCCCC)\C(\C1=O)=C/C=C\CCCC(OC)=O
Compound: 7alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4(C(C1)=CC(=O)C=C4)C)[H])C)[H])[H]
Compound: PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
SMILES: O1C=2C(=C(O)C(OC)=C(O)C2OC(=O)/C(/C)=C/C)C(=O)C(OC)=C1C3=CC=CC=C3
Compound: PPM-18
SMILES: O=C1C=2C(C(=O)C=C1NC(=O)C3=CC=CC=C3)=CC=CC2
Compound: Apigenin 7-(2''-glucuronosyllactate)
SMILES: O1C(OC(C)C(OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)=O)C(O)C(O)C(O)C1C(O)=O
Compound: 3alpha,12alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(C[C@@H](O)[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 1,2,3,4-Tetrahydro-2-methyl-b-carboline
SMILES: N1(CC=2NC=3C(C2CC1)=CC=CC3)C
Compound: PI(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: Myricanene A 5-[arabinosyl-(1->6)-glucoside]
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3CCCC=CCCC4=CC(C(C3)=C(OC)C2OC)=C(O)C=C4)COC5OC(C(O)C5O)CO
Compound: 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol
SMILES: O[C@]12[C@@]3(O)[C@@]([C@@]4([C@@](O)([C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)CC4)C)(CC[C@@]1([C@](C[C@@H]2O)([C@@H](CC[C@](O)(CC)C)C)[H])C)[H]
Compound: Vinaginsenoside R1
SMILES: O(C1C2C(C3C(C4(C(C(CC4)C5(OC(CC5)C(O)(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C)COC(=O)C
Compound: 15-dimethylarsinoyl pentadecanoic acid
SMILES: [As](=O)(CCCCCCCCCCCCCCC(O)=O)(C)C
Compound: Withaperuvin B
SMILES: OC12C(C(O)(CC1)C(O)(C3OC(=O)C(=C(C3)C)C)C)(CCC4C2CC(O)C5(O)C4(C)C(=O)C=CC5O)C
Compound: 3alpha,7alpha,12alpha,22-Tetrahydroxy-5beta-cholestan-26-oic acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C(O)CCC(C)C(O)=O)C)[H])[H])C
Compound: S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione
SMILES: S(C([C@@H]1[C@H](CCC1O)C/C=C\CCCC(O)=O)C[C@@H](O)CCCCC)C[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O
Compound: 5-O-Methyl-8-prenylafzelechin-4beta-ol
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)C=2C1=C(C(O)=CC2OC)CC=C(C)C)C3=CC=C(O)C=C3
Compound: 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
SMILES: O1C(CC(=O)C2=C1C3=C(OC=C3)C=C2)C4=CC=5OCOC5C=C4
Compound: 1alpha,25-dihydroxy-23-thiavitamin D3
SMILES: S(CC(C1[C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)C[C@H](O)C3=C)[H])C)C)CC(O)(C)C
Compound: 9-dimethylarsinoyl-nonanoic acid
SMILES: [As](=O)(CCCCCCCCC(O)=O)(C)C
Compound: OKODiA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Spongipregnoloside B
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C(=O)C)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O[C@@H]6OC([C@H](O)C(O)[C@H]6O)C)[C@H](O)C5O)CO
Compound: PI(18:1(9Z)/19:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Lophirone E
SMILES: O1C2=C(C=C1C3=CC=C(O)C=C3)C=C(C=C2)/C=C/C(=O)C4=C(O)C=C(O)C=C4
Compound: 7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=3OC(CC(=O)C3C(OC)=C2)C4=CC=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C4)CO)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C
Compound: Piloty's Acid
SMILES: S(=O)(=O)(NO)C1=CC=CC=C1
Compound: 3alpha-Hydroxy-11-oxo-5beta-cholan-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C1)C)[H])(CC[C@]4([C@@]2(CC[C@@H](O)C4)C)[H])[H])[H]
Compound: Sulfamisterin
SMILES: S(O[C@H](CCCCCCCCC(=O)CCCCCC)[C@@](N)(CO)C(O)=O)([O-])(=O)=O.[Na+]
Compound: methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
SMILES: O1C(C1C#CC#C/C=C\C(OC)=O)COC(=O)C
Compound: PG(18:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(P-18:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(P-20:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Calopogoniumisoflavone A
SMILES: O1C(C=CC2=C1C=CC3=C2OC=C(C3=O)C4=CC=C(OC)C=C4)(C)C
Compound: ALBIZZIINE
SMILES: OC(=O)C(N)CNC(=O)N
Compound: Epicalyxin J
SMILES: O1[C@@H]([C@@]2([C@@](C[C@@H]1CCC3=CC=C(O)C=C3)(C=4C(O[C@H]2C5=CC=C(O)C=C5)=CC(OC)=C6C4OC(CC6=O)C7=CC=C(O)C=C7)[H])[H])C8=CC=C(O)C=C8
Compound: Viscutin 3
SMILES: O1[C@@H](OC=2C=3CC[C@H](OC3C=C(O)C2)C4=CC(O)=C(O)C=C4)C(O)[C@@H](O)[C@H](O)C1
Compound: 3-Hydroxylidocaine glucuronide
SMILES: O1[C@@H](OC2=C(C(NC(=O)CN(CC)CC)=C(C=C2)C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 4-Keto-4'-hydroxyalloxanthin
SMILES: O[C@H]1CC(C(=C([C@@H]1O)C)C#C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C#CC=2C(C[C@H](O)C(=O)C2C)(C)C)/C)/C)(C)C
Compound: PA(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)(O)=O
Compound: 3Z,5E-tetradecadienoic acid
SMILES: OC(=O)C/C=C\C=C\CCCCCCCC
Compound: Stoloniferone C
SMILES: O1[C@@]23[C@]([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](CC[C@@H](C(C)C)C)C)[H])(C[C@H]4O)C)[H])(C[C@@]12[H])[H])[H])(C)C(=O)C=CC3
Compound: (7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol
SMILES: O(O)[C@H](\C=C/1\[C@]2([C@@]([C@](CC2)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(CCC1)C)[H])C=3C(CC[C@H](O)C3)=C
Compound: Homoesperetin 7-rutinoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(OC)=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: AM2201
SMILES: FCCCCCN1C=2C(C(=C1)C(=O)C=3C=4C(C=CC3)=CC=CC4)=CC=CC2
Compound: AM2201 N-(4-fluoropentyl) isomer
SMILES: FC(CCCN1C=2C(C(=C1)C(=O)C=3C=4C(C=CC3)=CC=CC4)=CC=CC2)C
Compound: JWH 018
SMILES: O=C(C=1C=2C(N(CCCCC)C1)=CC=CC2)C=3C=4C(C=CC3)=CC=CC4
Compound: PGA2 1,15-lactone
SMILES: O1[C@@H](CCCCC)C=C[C@@]2([C@@](CC=CCCCC1=O)(C(=O)C=C2)[H])[H]
Compound: 2,5-Dimethyl-1H-pyrrole
SMILES: N1C(=CC=C1C)C
Compound: {4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid
SMILES: S(OC1=CC=C(\C=C\C2=CC(O)=C(\C=C\C(C)C)C(O)=C2)C=C1)(O)(=O)=O
Compound: 6-iodo-5-hydroxy-eicosa-8Z,11Z,14Z-trienoic acid gamma lactone
SMILES: IC(C1OC(=O)CCC1)C/C=C\C/C=C\C/C=C\CCCCC
Compound: Neofolin
SMILES: O1C2=C(C=C(C=3C(OC)=CC=4OCOC4C3)C1=O)C=C5C(OC=C5)=C2OC
Compound: PS-PS
SMILES: P(OC[C@H](OC(=O)CCC(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Lyciumin B
SMILES: O=C(N1C(CCC1)C(=O)NC(CC=2C=3C(NC2)=CC=CC3)C(=O)NC4N5C=6C(C(=C5)CC(NC(=O)C(NC(=O)CNC(=O)C(NC4=O)C(C)C)CO)C(O)=O)=CC=CC6)C7NC(=O)CC7
Compound: 11-acetoxy-3beta,6alpha-dihydroxy-9,11-seco-5alpha-cholest-7-en-9-one.
SMILES: O[C@@H]1[C@@]2([C@@](C(=O)C([C@H]3[C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CCOC(=O)C)C)=C1)(CC[C@H](O)C2)C)[H]
Compound: Spinochalcone B
SMILES: O1C(CCC=C(C)C)(C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)C
Compound: PG(20:2(11Z,14Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Malvidin 3-p-coumarylrutinoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)CO[C@@H]5OC([C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)[C@H](O)C5O)C
Compound: PG(P-16:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Vitexin 2''-O-rhamnoside-4'''-acetate
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H])CO)[C@@H]5OC([C@H](OC(=O)C)[C@H](O)C5O)C
Compound: 24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol
SMILES: O[C@@H]1C\C(=C\C=C/2\[C@]3([C@@](C(=CC3)[C@@H](CCC/C=C/C(O)(C)C)C)(CCC2)C)[H])\C([C@@H](O)C1)=C
Compound: PIM1(18:1(9Z)/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)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: 23,23-difluoro-25-hydroxyvitamin D3
SMILES: FC(F)(CC(C1C2(C(CC1)/C(/CCC2)=C\C=C/3\CC(O)CCC3=C)C)C)CC(O)(C)C
Compound: Medicoside C
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OCC(O)C(O)C6OC7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)CO
Compound: Pefloxacin N-oxide
SMILES: FC1=C(N2CCN(CC2)C)C=C3[N+]([O-])(CC)C=C(C(=O)C3=C1)C(O)=O
Compound: Lophirone I
SMILES: O1[C@@H](CC(=O)C2=C1C=C(O)C=C2)C3=CC4=C(OC(=C4)C5=CC=C(O)C=C5)C=C3
Compound: Androechin
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(O)C=C(OC)C2)C(=O)/C=C/C=3C(O)=CC=CC3)CO
Compound: N1,N4-Diacetylsulfanilamide
SMILES: S(=O)(=O)(NC(=O)C)C1=CC=C(NC(=O)C)C=C1
Compound: TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Paratocarpin G
SMILES: O1[C@@](C(O)(C)C)([C@H](O)C2=C1C=CC(=C2)/C=C/C(=O)C3=C(O)C(CC=C(C)C)=C(O)C=C3)[H]
Compound: PI(14:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCCCC)(O)=O
Compound: Crotaoprostrin
SMILES: O(C1=C(OC)C=C(C=C1OC)/C=C/C(=O)C=2C(O)=CC=CC2)C
Compound: 1-Hydroxyvitamin D3 cellobioside
SMILES: O([C@@H]1C\C(=C\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CCC2)C)[H])\C([C@@H](O)C1)=C)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO
Compound: R-Dysidazirine
SMILES: O(C(=O)[C@H]1N=C1\C=C\CCCCCCCCCCCCC)C
Compound: 1,2-Epoxy-3,4-butanediol 4-methanesulfonate
SMILES: S(OCC(O)C1OC1)(=O)(=O)C
Compound: 5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)[C@@H]5O)CO
Compound: Methyl(2-furoylamino)acetic acid
SMILES: O1C(C(=O)NC(C)C(O)=O)=CC=C1
Compound: PA(22:4(7Z,10Z,13Z,16Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PA(19:0/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Muricatacin
SMILES: O1[C@@]([C@H](O)CCCCCCCCCCCC)(CCC1=O)[H]
Compound: Calomelanol C
SMILES: O1C2=C(C(CC1=O)C3=CC=C(O)C=C3)C(O)=CC(O)=C2C(=O)CCC4=CC=CC=C4
Compound: 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine
SMILES: O(CCN1C2=C(N=C3C1=NC(=O)NC3=O)C=C(C(=C2)C)C)C(=O)C
Compound: Desmethyl fluvoxamine
SMILES: FC(F)(F)C1=CC=C(\C(=N\OCCN)\CCCCO)C=C1
Compound: PG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Oleoyl 3-carbacyclic Phosphatidic Acid
SMILES: P1(OC(CC1)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Licoricesaponin F3
SMILES: O1C2C3(C(C=4C(C5(C(C6(C(CC5)C(C(OC7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8OC9OC(C(O)C(O)C9O)C)C(O)=O)C(O)=O)CC6)(C)C)C)CC4)C)(CC3)C)CC(C2)(C1=O)C)C
Compound: PG(19:0/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Alliogenin
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](O)([C@H](O)C4)C[C@@H](O)[C@H](O)C5)C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]16OC[C@@H](CC6)C)C)[H])[H]
Compound: Hoduloside III
SMILES: O1C23OC(CC(O)(C3C4C(C5(C(C6(C(CC5)C(C(OC7OCC(O)C(OC8OC(C(O)C(O)C8O)CO)C7OC9OC(C(O)C(O)C9O)C)CC6)(C)C)C)CC4)C)(C2)C1)C)C=C(C)C
Compound: PG(17:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 3,12-Dioxo-5beta-chol-6-en-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C=C3)(CC(=O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: PG(O-18:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 18:3-Glc-Stigmasterol
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)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PGF2alpha methyl ester
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(OC)=O
Compound: 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan
SMILES: O1C2C(C=3C1=C(OC)C(OC)=C(O)C3)COC=4C2=CC(O)=C(OC)C4
Compound: [(3-methylbut-2-en-1-yl)oxy]sulfonic acid
SMILES: S(OCC=C(C)C)(O)(=O)=O
Compound: Ambofuracin
SMILES: O(C1C(O)C(O)C(OC1OC)COC(=O)CCC(OC)=O)[C@@H]2[C@H](OC3=C2C=CC(O)=C3)CC4=CC=C(O)C=C4
Compound: 2,3,4,2',4',6'-Hexamethoxychalcone
SMILES: O(C1=C(/C=C/C(=O)C2=C(OC)C=C(OC)C=C2OC)C=CC(OC)=C1OC)C
Compound: Periconicin A
SMILES: O[C@H]1[C@H]([C@]2(C[C@]3(C(=C(CC3)C(C)C)CC=C([C@@]2(C1=O)[H])C=O)C)[H])C
Compound: Euchrenone b3
SMILES: O1C(C=CC=2C1=C(C(O)=C3C2OC=C(C3=O)C=4C(OC)=CC=5OCOC5C4)CC=C(C)C)(C)C
Compound: (Z)-heptadec-14-en-12-yn-2-one
SMILES: O=C(CCCCCCCCCC#C/C=C\CC)C
Compound: Lupiwighteone
SMILES: O1C2=C(CC=C(C)C)C(O)=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=C1
Compound: Munetone
SMILES: O1C(C=CC2=C1C=CC(=C2OC)C=3C(=O)C4=C(OC3)C=C5OC(C=CC5=C4)(C)C)(C)C
Compound: 5,7-Dihydroxy-8-C-geranylflavanone
SMILES: O1C(CC(=O)C=2C1=C(C/C=C(/CCC=C(C)C)\C)C(O)=CC2O)C3=CC=CC=C3
Compound: Deacetylspironolactone
SMILES: S[C@H]1[C@]2([C@]3([C@@]([C@@]4(OC(=O)CC4)CC3)(CC[C@@]2([C@@]5(C(C1)=CC(=O)CC5)C)[H])C)[H])[H]
Compound: 8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=O)C3=C(OC2C4=CC=C(OC)C=C4)C(=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)C=C3O)CC=C(C)C)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C
Compound: 2-Methyl-1-phenyl-2-propanyl butyrate
SMILES: O(C(CC1=CC=CC=C1)(C)C)C(=O)CCC
Compound: Momordin Ia
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)C6O)C(OC)=O
Compound: 8-hydroxymianserin glucuronide
SMILES: O1[C@@H](OC2=CC3=C(N4C(CN(CC4)C)C=5C(C3)=CC=CC5)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC=O)C)[H])[H])C
Compound: PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O
Compound: PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: DACP analog of retinoic acid
SMILES: O=C(C1=C(C(CC1)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O)=O)C
Compound: 14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
SMILES: O1[C@@H]([C@@H](O)[C@H](O)C(O)C1O[C@@H](CC=C(C)C)/C(/C)=C/C=C/C(=C/[C@@](O)(C/C=C/C=C/C(O)=O)C)/C)CO
Compound: PG(17:2(9Z,12Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-18:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: KHAYASIN
SMILES: O(C1C([C@@H]([C@]2(C3C(C[C@@]1(C2=O)[H])=C4[C@@](CC3)([C@@H](OC(=O)C4)C=5C=COC5)C)C)CC(OC)=O)(C)C)C(=O)C(CC)C
Compound: Latanoprost Lactol
SMILES: O1[C@@]2([C@@]([C@H]([C@H](O)C2)CC[C@@H](O)CCC3=CC=CC=C3)(CC1O)[H])[H]
Compound: 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C
Compound: (-)-Solenolide A
SMILES: Cl[C@@H]1[C@@]2(OC(=O)[C@@H]([C@@]2(O)C(O)[C@@]3([C@]([C@H]4O[C@H]4[C@@H](OC(=O)CCCCC)[C@@H]3C)([C@@H](OC(=O)C)C=CC1=C)C)[H])C)[H]
Compound: PS(P-20:0/0:0)
SMILES: P(OC[C@H](O)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: IDFP
SMILES: P(F)(OC(C)C)(=O)CCCCCCCCCCCC
Compound: Ethyl octynecarboxylate
SMILES: O(CC)C(=O)C#CCCCCCC
Compound: Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(OC)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO
Compound: 1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC3=C(OC=4C(C3=O)=C(O)C=C(OC)C4)C=C2)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O
Compound: Larycitrin 3-(4''-malonylrhamnoside)
SMILES: O1C([C@H](OC(=O)CC(O)=O)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)C
Compound: Momordicoside D
SMILES: O(C1C(C=2C(C3(C(C4(C(C(CC4)C(C(O)C(O)C=C(C)C)C)(CC3)C)C)CC2)C)CC1)(C)C)C5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO
Compound: 1-Methyl-2-propylbenzene
SMILES: C(C=1C(=CC=CC1)C)CC
Compound: Araliasaponin I
SMILES: O(C1C(C2C(C3C(C4(C(C5C(C(O)C4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C7OCC(O)C(OC8OC(C(O)C(O)C8O)CO)C7O
Compound: Hoduloside VIII
SMILES: O(CC12C3(C(C4(C(CC3)C(C(OC5OCC(O)C(O)C5O)CC4)(C)C)C)CCC1C(C(=O)C2)C(O)(C/C=C/C(O)(C)C)C)C)C6OC(C(O)C(O)C6O)COC7OCC(O)C(O)C7O
Compound: PI(17:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: Butyl 4'-O-hexadecanoyl-neohesperidoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OCCCC)CO)[C@@H]2OC([C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](O)C2O)C
Compound: PG(18:1(9Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 6-O-Desmethyldonepezil
SMILES: O=C1C(CC2CCN(CC2)CC3=CC=CC=C3)CC=4C1=CC(O)=C(OC)C4
Compound: PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(17:2(9Z,12Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(O-20:0/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone
SMILES: O1C(C=CC=2C1=C(C(O)=CC2OC)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)(C)C
Compound: Symplocoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO
Compound: Pumilaisoflavone A
SMILES: O1C(C=CC2=C1C=C3OC=C(C(=O)C3=C2O)C4=CC(OC)=C(OC(C)(C)C=C)C(OC)=C4)(C)C
Compound: Tetracaine N-oxide
SMILES: O(CC[N+]([O-])(C)C)C(=O)C1=CC=C(NCCCC)C=C1
Compound: 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin
SMILES: O1C2=C(C(O)=C(C(O)=C2/C=C/C(C)C)C(=O)CCC)C(C3=CC=CC=C3)=CC1=O
Compound: 5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(C4=CC=C(O)C=C4)=CC(OC3C=C(OC)C2)=O)CO
Compound: Norecasantalic acid
SMILES: OC(=O)CC1(C2(C3C2CC1C3)C)C
Compound: Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside]
SMILES: O1[C@H](O)[C@]2([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)CO)CO[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CC4)(C)C)C)CC[C@@]2([C@]8([C@@]1([C@H](OC8=O)CC=C(C)C)C)[H])[H])C)C
Compound: m-Trifluoromethylhippuric acid
SMILES: FC(F)(F)C=1C=C(C=CC1)C(=O)NCC(O)=O
Compound: Okanin 3,4,3'-trimethyl ether 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)CO
Compound: AG-370
SMILES: N1C2=C(C=C(C=C2)/C=C(/C(N)=C(C#N)C#N)\C#N)C=C1
Compound: Brosimacutin B
SMILES: O1C=2C(CC(O)C(O)(C)C)=C(O)C=CC2C(=O)C[C@@H]1C3=CC=C(O)C=C3
Compound: Psoralenol
SMILES: O1C(C(O)CC2=C1C=CC(=C2)C=3C(=O)C4=C(OC3)C=C(O)C=C4)(C)C
Compound: punaglandin 1
SMILES: ClC=1C(=O)[C@@]([C@@](O)(C/C=C\C/C=C\CC)C1)([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O)[H]
Compound: punaglandin 5
SMILES: ClC=1C(=O)[C@@H]([C@@](O)(C/C=C\C/C=C\CC)C1)C[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O
Compound: Durupcoside A
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(OC7OC(C(O)C7O)CO)C(O)C6OC8OC(C(O)C(O)C8O)CO)C(O)=O
Compound: PE(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OCCN)(O)=O
Compound: PI(P-20:0/17:2(9Z,12Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: PI(22:0/20:3(8Z,11Z,14Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(18:3(9Z,12Z,15Z)/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: PI(18:3(9Z,12Z,15Z)/12:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: STROPHANTHIDIN SEMICARBAZIDE
SMILES: OC12C3C(C4(C(O)(CC3)CC(O)CC4)\C=N\NC(=O)N)CCC1(C(CC2)C=5COC(=O)C5)C
Compound: PG(O-16:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: Hippuristanolide
SMILES: O1[C@@]2([C@@]3([C@@]45[C@]([C@]6([C@]([C@@](O[C@]14[H])(C5)[H])([C@@]7([C@@](CC6)(C[C@H](OC(=O)C)CC7)[H])C)[H])[H])(C[C@@]3(OC82OC(C(C8)C)(C)C)[H])[H])[H])C
Compound: 4-methylthiazole-5-acetic-acid
SMILES: S1C(CC(O)=O)=C(N=C1)C
Compound: 5-Methoxy-2-methylthiazole
SMILES: S1C(=NC=C1OC)C
Compound: Isoquinoline N-oxide
SMILES: [O-][N+]1=CC=2C(C=C1)=CC=CC2
Compound: 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
SMILES: O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC=4OC(C=CC34)(C)C)C5=CC=C(OC)C=C5)C
Compound: Ulexone B
SMILES: O1C(C=CC2=C1C=C(O)C3=C2OC=C(C4=CC5=C(OC(C=C5)(C)C)C=C4)C3=O)(C)C
Compound: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: Madlongiside D
SMILES: O[C@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)=O)[H])=CC3)C)(C1)C)[H])(C[C@H](O)[C@H](O)[C@]2(CO)C)C)[H]
Compound: LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
SMILES: P(OCC(O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: Moreollin
SMILES: O1C2(C34OC5=C(C(=O)C3C(OCC)C(CC4C1(C)C)C2=O)C(O)=C6C(OC(C=C6)(C)C)=C5CC=C(C)C)C/C=C(/C)\C=O
Compound: PG(17:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(16:1(9Z)/22:2(13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O
Compound: PI(P-16:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)CO/C=C\CCCCCCCCCCCCCC)(O)=O
Compound: PI(12:0/18:2(9Z,12Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(O)=O
Compound: cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol
SMILES: O[C@]12[C@@]3([C@@](O)([C@@H](O)C=C2[C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC1)C)[H])C[C@@H](O)CC3)C
Compound: Esculentoside E
SMILES: O([C@@H]1[C@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@](C5)(C)C(O)=O)C(O)=O)[H])=CC3)C)(CC2)C)[H])(C[C@@H]1O)C)[H])(CO)C)[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O
Compound: CAY10401
SMILES: O1C(=NC=2N=CC=CC12)C(=O)CCCCCCCC#CCCCCCCCC
Compound: Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether
SMILES: O1C(CC(=O)C=2C1=CC(OC)=CC2O)C3=CC(OC)=C(OCC=C(C)C)C=C3
Compound: Isoferulic acid 3-O-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=CC(=C2)/C=C/C(O)=O)C(O)=O
Compound: armillaridin
SMILES: ClC=1C(=C(C(O[C@H]2[C@]3(O)[C@@]([C@@]4([C@@](CC(C4)(C)C)(C=C3C=O)[H])[H])(C2)C)=O)C(O)=CC1OC)C
Compound: Exiguaflavanone L
SMILES: O1C(C(CC2=C1C=C(O)C3=C2OC(CC3=O)C4=C(O)C=CC=C4O)CC=C(C)C)(C)C
Compound: PG(14:1(9Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: (-)-Jolkinol B
SMILES: O1[C@]2([C@]1(C3[C@](OC(=O)/C=C/C4=CC=CC=C4)(C[C@@H](C3O)C)C(=O)C(=C[C@@]5([C@@](C5(C)C)(CC2)[H])[H])C)[H])C
Compound: PIP2(16:0/16:0)
SMILES: P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(OP(O)(O)=O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(O)=O
Compound: 5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone
SMILES: O1C(C=2C(OC)=CC(OC)=C(OC)C2)=C(OC)C(=O)C=3C1=CC(OC)=CC3O
Compound: Mabioside A
SMILES: O1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@]3([C@]4(C([C@@]5(C(CC4)C([C@@H](O[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)CC5)(C)C)C)CC[C@@]3([C@]8([C@@]1([C@H](OC8=O)CC=C(C)C)C)[H])[H])C)C
Compound: PI(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: PI(21:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: Leukotriene C4-d5
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCC(C([2H])([2H])[2H])([2H])[2H])C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Compound: PG(P-18:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCC)(O)=O
Compound: 6-sulfatoxymelatonin
SMILES: S(OC=1C=C2NC=C(C2=CC1OC)CCNC(=O)C)(O)(=O)=O
Compound: 6-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-2-phenyl-2,3-dihydro-1-benzofuran-3-yl)benzene-1,2,4-triol
SMILES: O1C(C(C2=C(C3C(OC4=C3C=C(C=C4)/C=C/C5=C6C(C(OC6=CC(O)=C5)C7=CC=CC=C7)C8=CC(O)=CC=C8)C9=CC=C(O)C=C9)C=C(O)C=C12)C%10=C(O)C(O)=CC(O)=C%10)C%11=CC=CC=C%11
Compound: Macrophyllol A (flavone)
SMILES: O1[C@@H](CC(=O)C2=C1C(OC)=C(OC)C(=C2O)CC3=C(O)C=CC(OC)=C3)C4=CC=CC=C4
Compound: Ambonane
SMILES: O1C2C(C3=C1C(OC)=C(OC)C=C3)COC4=C2C=C5C(OC=C5)=C4
Compound: Isocordoin
SMILES: OC=1C(CC=C(C)C)=C(O)C=CC1C(=O)/C=C/C2=CC=CC=C2
Compound: 2-amino-4-({2-[(1-carboxy-2-hydroxy-1-methylpropyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)C)(C)C(O)=O)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: Penicillamine disulfide
SMILES: S(SC(C(N)C(O)=O)(C)C)C(C(N)C(O)=O)(C)C
Compound: 3'-Deoxyderhamnosylmaysin
SMILES: O1[C@@](C(O)[C@@H](O)C(=O)C1C)(C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)[H]
Compound: Glycyl-H-1152
SMILES: S(=O)(=O)(N1[C@H](CN(CCC1)C(=O)CN)C)C=2C3=C(C=CC2)C=NC=C3C
Compound: Rheidin B
SMILES: O=C1C2=C(C(C3C4=C(C(=O)C5=C3C=CC=C5O)C(O)=CC(=C4)C(O)=O)C6=C1C(O)=CC=C6)C=C(C=C2O)C
Compound: PS(DiMe(11,3)/MonoMe(11,3))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC=1OC(=CC1C)CCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCC)(OCC(N)C(O)=O)(O)=O
Compound: Betavulgaroside VIII
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)(CC1)C)(C)C)C7OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C7O)C(O)=O
Compound: 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->2)-b-D-glucosyl] ester
SMILES: OC1C2(C3C(C4C(C(CC4)C(C(O)C/C(/C)=C(/C)\C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)=O)C)(CC3)C)CC=C2CC(OC7OC(C(O)C(O)C7O)CO)C1)C
Compound: PIM1(19:2(9Z,12Z)/16:1(9Z))
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\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC)(O)=O
Compound: 5-Oxoavermectin ''1b'' aglycone
SMILES: O1[C@]2(O[C@@H]([C@H](C=C2)C)C(C)C)C[C@]3(OC(=O)[C@]4([C@@]5(O)[C@](OCC5=CC=C[C@@H]([C@H](O)C(=CC[C@@]1(C3)[H])C)C)(C(=O)C(=C4)C)[H])[H])[H]
Compound: 28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside
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)C7OCC(O)C(O)C7O
Compound: PGF2alpha-1,15-lactone
SMILES: O[C@@H]1[C@]2([C@]([C@H](O)C1)(C=C[C@@H](OC(=O)CCCC=CC2)CCCCC)[H])[H]
Compound: OHOHA-PA
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: 2E,8E-dodecadienoic acid
SMILES: OC(=O)\C=C\CCCC/C=C/CCC
Compound: 1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phosphosulfocholine
SMILES: [S+](CCOP(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)([O-])=O)(C)C
Compound: TG(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: PG(20:1(11Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Matteuorienate C
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(=CC(=O)C3C(O)=C2C)C4=CC=CC=C4)C)COC(=O)CC(O)(CC(O)=O)C
Compound: PI(20:1(11Z)/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: PI(P-20:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: Nordracorubin
SMILES: O1C(CCC=2C1=C3C4=C5C(OC3=CC2OC)=CC(=O)C=C5OC(=C4)C6=CC=CC=C6)C7=CC=CC=C7
Compound: Kushenol G
SMILES: OC(CC[C@H](CC1=C2OC(=C(O)C(=O)C2=C(O)C=C1O)C3=C(O)C=C(O)C=C3)C(C)=C)(C)C
Compound: cholesta-5,7,8(14),22E-tetraen-3-one
SMILES: O=C1CC[C@@]2([C@]3(CC[C@@]4([C@](CCC4=C3C=CC2=C1)([C@H](C)/C=C/CC(C)C)[H])C)[H])C
Compound: (E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol
SMILES: OC\C(=C\C[C@]12C(N(CC1)C)NC=3C2=CC=CC3)\C
Compound: PI(20:0/17:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)=O
Compound: (8S,11S,15S)-d13-9-IsoF[9S,12S]
SMILES: O1[C@@](C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)([C@@H](O)C/C=C\CCCC(O)=O)[H]
Compound: PI(20:3(8Z,11Z,14Z)/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: Tautomycetin
SMILES: OC(CCC(CC(CC(=O)/C=C(\CC)/C=C)C)C)C(C(=O)CC(O)C(C(OC(=O)CC(O)C1=C(C(OC1=O)=O)C)C)C)C
Compound: (3-aminopropoxy)sulfonic acid
SMILES: S(OCCCN)(O)(=O)=O
Compound: 2-amino-4-({2-[(1-carboxy-2-hydroxy-2-phenylethyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)C1=CC=CC=C1)C(O)=O)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: PI(22:4(7Z,10Z,13Z,16Z)/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: Sinaticin
SMILES: O1[C@H]([C@@H](OC2=C1C=CC(=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO)C5=CC=C(O)C=C5
Compound: (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
SMILES: OC1(C2=C(NC1=O)C=CC(O)=C2)CC(O)=O
Compound: Derrichalcone
SMILES: O1C([C@H](OC)[C@@H](O)C=2C1=C(C(O)=C3C2OC(C=C3)(C)C)C(=O)/C=C/C4=CC=C(O)C=C4)(C)C
Compound: 3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid
SMILES: O1C(OC2(C=3OC=4C(C(=O)C3)=C(OC)C(OC)=C(OC)C4)C=CC(=O)C=C2)C(O)C(O)C(O)C1C(O)=O
Compound: 7Z-punaglandin 3
SMILES: ClC1=C[C@@](O)(/C(=C/[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O)/C1=O)C/C=C\C/C=C\CC
Compound: Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside)
SMILES: O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(OC(=O)/C=C/C5=CC=CC=C5)[C@H](O)[C@H]1CO
Compound: PI(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: 15S-hydroperoxy-PGE2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](OO)CCCCC
Compound: PG(O-18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Kurilensoside F
SMILES: O[C@]12[C@]3([C@@]([C@]([C@@H](O)[C@@H]3O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@@]1([C@@]4([C@@](O)(CC2)[C@@H](O)[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5OC)CC4)C)[H])C)[H]
Compound: Pilosanol A
SMILES: O1[C@@H]([C@@H](O)CC2=C1C(CC3=C(O)C(=C(OC)C(=C3O)C)C(=O)C(CC)C)=C(O)C=C2O)C4=CC(O)=C(O)C=C4
Compound: 12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3=O)(CC(=O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid
SMILES: O1C(OC2=C(C3OC4=C(C(=O)C3)C=CC(O)=C4)C(O)=C(C(OC)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O
Compound: CB-13
SMILES: O(C=1C=2C(C(C(=O)C=3C=4C(C=CC3)=CC=CC4)=CC1)=CC=CC2)CCCCC
Compound: 4-keto palmitic acid
SMILES: O=C(CCCCCCCCCCCC)CCC(O)=O
Compound: Theonellasterol H
SMILES: O[C@]12[C@@]([C@](C[C@@H]1O)([C@@H](CC[C@@H](C(C)C)CC)C)[H])(C[C@@H](O)C3=C2CC[C@@]4([C@@]3(CC[C@H](O)C4=C)C)[H])C
Compound: Mabioside D
SMILES: O1C2(O)C(C3C(C4(C(C5(C(CC4)C(C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)C)CC5)(C)C)C)CC3)C)(C2O)C)C(O)(C1CC=C(C)C)C
Compound: PS(13:0/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diol
SMILES: S1C(C=2SC=CC2)=CC=C1C#CC(O)CO
Compound: 17-phenyl trinor Prostaglandin F2alpha-d4
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCC2=CC=CC=C2)C/C=C\C(C(CC(O)=O)([2H])[2H])([2H])[2H]
Compound: 3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-5beta-cholestan-26-oic acid
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCCC(CCC(O)=O)C(O)=O)C)[H])[H])C
Compound: Hebevinoside II
SMILES: O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=C[C@H]3O)C(C(O[C@@H]5OC[C@@H](OC(=O)C)[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)COC(=O)C
Compound: PA(P-18:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PI(18:4(6Z,9Z,12Z,15Z)/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: 5-((5Z,8Z,11Z)-heptadeca-5,8,11-trien-1-yl)resorcinol
SMILES: OC1=CC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=CC(O)=C1
Compound: PA(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCC)(O)(O)=O
Compound: PG(O-20:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PC(O-5:0/0:0)[R]
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O)COCCCCC)([O-])=O
Compound: Deacetyl-O-demethyldiltiazem
SMILES: S1[C@H]([C@@H](O)C(=O)N(CCN(C)C)C=2C1=CC=CC2)C3=CC=C(O)C=C3
Compound: N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid
SMILES: OC(=O)C(NC(=O)N)C1=CC=C(O)C=C1
Compound: Pumilaisoflavone C
SMILES: O1C2=C(C(=O)C(C=3C(CC=C(C)C)=C(OC)C(O)=C(OC)C3)=C1)C(O)=C(CC=C(C)C)C(O)=C2
Compound: Calomelanol H
SMILES: O1C(CC(=O)C=2C(O)=C3C(CC(OC3=CC12)=O)C4=CC=CC=C4)C5=CC=C(O)C=C5
Compound: Arg-Lys-Glu-Val-Tyr
SMILES: O=C(N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CCCCN)CCC(O)=O
Compound: dapsone hydroxylamine
SMILES: S(=O)(=O)(C1=CC=C(NO)C=C1)C2=CC=C(N)C=C2
Compound: Epicatechin 5,7,3'-trimethyl ether
SMILES: O1[C@@H]([C@H](O)CC2=C1C=C(OC)C=C2OC)C3=CC(OC)=C(O)C=C3
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)C(=O)C1=CC=C(OC)C=C1)C2=CC=CC=C2)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: PG(17:2(9Z,12Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(OC[C@@H](O)CO)(O)=O
Compound: punaglandin 6
SMILES: ClC=1C(=O)[C@@H]([C@@](O)(C/C=C\CCCCC)C1)C[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O
Compound: (+)-Beyerol
SMILES: O[C@H]1[C@]([C@@]2([C@]([C@]3([C@@]4(C[C@](CC3)(C=C4)CO)CC2)[H])(CC1)C)[H])(CO)C
Compound: Quercetin 7-(6''-tiglylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C(/C)=C/C
Compound: Cytochalasin Opho
SMILES: OC1C23C(C(NC2=O)CC4=CC=CC=C4)C(=C(C(O)C3C=CCC(CC(O)(C=C1)C)C)C)C
Compound: PS(18:4(6Z,9Z,12Z,15Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Prostaglandin A2-d4
SMILES: O=C1[C@@H]([C@H](C=C1)/C=C/[C@@H](O)CCCCC)C/C=C\C(C(CC(O)=O)([2H])[2H])([2H])[2H]
Compound: PG(O-16:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 2-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)benzene-1,3-diol
SMILES: O=C(C1C(CC(=CC1C2=C(O)C=CC=C2O)C)C3=C(O)C=C(O)C=C3)C4=C(O)C(=C(O)C=C4)/C=C/C(C)C
Compound: 2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
SMILES: O1C(CC2=C1C=CC3=C2O[C@@](CC3=O)(C4=C(O)C=C(O)C=C4)[H])C(O)(C)C
Compound: 6-[6-(2-{2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl)-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C=3C(O)=CC(O)=C(O)C3)C)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C
Compound: TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Liensinine
SMILES: O(C=1C=C2[C@H](N(CCC2=CC1OC)C)CC3=CC=C(O)C=C3)C=4C=C(C[C@H]5N(CCC=6C5=CC(OC)=C(OC)C6)C)C=CC4O
Compound: 9Z-Tetradecen-1-ol
SMILES: OCCCCCCCC/C=C\CCCC
Compound: 1'-O-Acetylpaxilline
SMILES: O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@](C(=O)C=C26)(C(OC(=O)C)(C)C)[H])[H])C
Compound: Vitexin 6''-(3-hydroxy-3-methylglutarate)
SMILES: O1[C@](C(O)C(O)[C@H](O)[C@@H]1COC(=O)CC(O)(CC(O)=O)C)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H]
Compound: Cyrtopterin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO
Compound: Cynarasaponin H
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)C7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)=O
Compound: PA(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)(O)(O)=O
Compound: PG(O-18:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Syringetin 3-rutinoside-7-glucoside
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)CO)C3)C5=CC(OC)=C(O)C(OC)=C5)CO[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: PG(17:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)=O
Compound: OKODA-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: Phenol-formaldehyde, cross-linked, triethylenetetramine activated
SMILES: OC1=CC=CC=C1.O=C.N(CCNCCN)CCN
Compound: Sclerotiorin
SMILES: ClC1=C2C(C(=O)[C@@](OC(=O)C)(C1=O)C)=COC(=C2)\C=C\C(=C\[C@H](CC)C)\C
Compound: 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone
SMILES: O1C(CC(=O)C2=C1C=CC(=C2N)C(=O)CC(NC(=O)C)COC(=O)CCCCCCCC/C=C/C=C/CCCCC)(C)C
Compound: 15-methyl-15R-PGF2alpha
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@](O)(CCCCC)C)C/C=C\CCCC(O)=O
Compound: S-methyl-L-Thiocitrulline (hydrochloride)
SMILES: Cl.Cl.S(/C(=N\CCC[C@H](N)C(O)=O)/N)C
Compound: 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(N)=C(C=CC2)C(=O)CCC(O)=O)CO
Compound: Isoderricin A
SMILES: O1C(CC(=O)C2=C1C(CC=C(C)C)=C(OC)C=C2)C3=CC=CC=C3
Compound: [6-(2H-chromen-2-ylidene)cyclohexa-2,4-dien-1-ylidene]oxidanium
SMILES: [O+]1=C(C=2C(O)=CC=CC2)C=CC=3C1=CC=CC3
Compound: Moralbanone
SMILES: O1C2=C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(O)=CC(O)=C2C(=O)C=C1C3=C(O)C=C(O)C=C3
Compound: Dalpanitin
SMILES: O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C=2C=3OC=C(C(=O)C3C(O)=CC2O)C4=CC(OC)=C(O)C=C4)[H]
Compound: Lespedezaflavanone F
SMILES: O1C(CC(=O)C2=C1C(=C(O)C(=C2O)CC=C(C)C)C)C3=CC(=C(OC)C=C3)CC=C(C)C
Compound: 3S-hydroxy-pentadecanoic acid
SMILES: O[C@@H](CCCCCCCCCCCC)CC(O)=O
Compound: PG(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C3C(OC(C3=O)=CC4=CC=C(O)C=C4)=C(C(O)=C2)C)C
Compound: PG(17:1(9Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(22:2(13Z,16Z)/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: PA(14:1(9Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: OH-Chlorobactene glucoside laurate
SMILES: O([C@@H]1OC(OC(=O)CCCCCCCCCCC)[C@@H](O)[C@H](O)C1O)C(CCC/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=CC2C)C)C)\C)\C)(C)C
Compound: 5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol
SMILES: O1O[C@]23[C@@]([C@@]14C([C@]5([C@@]([C@](CC5)([C@@H](CCCC(C)C)C)[H])(CC4)C)[H])=C[C@H]2O)(CC[C@H](O)C3)C
Compound: PA(14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: Catechin-4-ol 3-O-beta-D-glycopyranoside
SMILES: O([C@@H]1OC([C@@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4
Compound: CAY10412
SMILES: S1C=C(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)C=C1
Compound: {[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid
SMILES: S(OCC1OC(OC2OC(C(O)C(O)C2O)CO)(C(O)C1O)CO)(O)(=O)=O
Compound: OON-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: S-methylcaptopril
SMILES: S(C[C@H](C(=O)N1[C@@H](CCC1)C(O)=O)C)C
Compound: Dihydroamorphigenin
SMILES: O1C2C(C(=O)C3=C1C=4CC(OC4C=C3)C(CO)C)C=5C(OC2)=CC(OC)=C(OC)C5
Compound: PI(22:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)=O
Compound: PA(17:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PI(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
SMILES: O([C@@H]1C(O)[C@H](O)[C@@H](OC1C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@@H]2O)[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C
Compound: Kurziflavolactone B
SMILES: O1[C@]2(CC(C[C@]1(O)/C=C/C3=CC=CC=C3)C=4C=5O[C@@H](CC(=O)C5C(O)=CC4OC(=O)CCC2)C6=CC=CC=C6)[H]
Compound: PA(18:4(6Z,9Z,12Z,15Z)/12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PC(0:0/6:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCC)CO)([O-])=O
Compound: Fisetinidol-4beta-ol 7,3',4'-trimethyl ether
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)C2=C1C=C(OC)C=C2)C3=CC(OC)=C(OC)C=C3