MonarchInit/C3PO huggingface dataset:
Compound: Brosimacutin I
SMILES: OC(C(O)CC=1C(O)=C(CCC(=O)C2=CC=C(O)C=C2)C=CC1O)(C)C
Compound: Apuleirin
SMILES: O1C=2C(C(=O)C(OC)=C1C=3C=C(OC)C(OC)=C(O)C3)=C(OC)C(O)=C(OC)C2
Compound: PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: ent-17-epi-17-F4t-NeuroP
SMILES: O[C@H]1[C@@H]([C@@H]([C@@H](O)C1)/C=C/[C@@H](O)C/C=C\CC)C/C=C\C/C=C\CCC(O)=O
Compound: (10S,13S,17R)-d15-11-NeuroF[11R,14S]
SMILES: O1[C@](C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CC)([C@@H](O)C/C=C\C/C=C\CCC(O)=O)[H]
Compound: PS(22:4(7Z,10Z,13Z,16Z)/24:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)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: (+)-Dihydrowighteone
SMILES: O1CC(C(=O)C2=C1C=C(O)C(=C2O)CC=C(C)C)C3=CC=C(O)C=C3
Compound: Avenanthramide 1c
SMILES: OC=1C=C(/C=C/C(=O)NC=2C(=CC=CC2)C(O)=O)C=CC1O
Compound: Carboxyterbinafine
SMILES: OC(=O)C(C)(C)C#C\C=C\CN(CC=1C=2C(C=CC1)=CC=CC2)C
Compound: Echinasteroside C 15-O-sulfate
SMILES: S(O[C@@H]1[C@@]2([C@@]([C@]([C@H]1O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@]3([C@@]2(O)C[C@@H](O)C=4[C@@]3(CC[C@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5OC)C4)C)[H])C)[H])([O-])(=O)=O.[Na+]
Compound: Homochenodeoxycholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfoxy)cholan-24-yl]-Glycine
SMILES: S(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](CCC(=O)NCC(O)=O)C)[H])[H])C)(O)(=O)=O
Compound: PG(18:3(6Z,9Z,12Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (6S)-5-methyltetrahydrofolate(2-)
SMILES: CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2nc(N)[nH]c(=O)c12
Compound: PA(14:1(9Z)/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)CCCCCCC/C=C\CCCC)(O)(O)=O
Compound: PG(18:2(9Z,12Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(19:1(9Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(22:0/18:4(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)CCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: AL 8810 methyl ester
SMILES: F[C@@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(OC)=O)/C=C/[C@H](O)C2CC=3C(C2)=CC=CC3
Compound: PS(O-20:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Pectenotoxin 2 secoacid
SMILES: O1C2(OC(CC1(CC2)C)C3OC(CC3=O)(C(O)C4OC5(OC(CCC5)C(C)C(O)=O)CC4)C)C6OC(CC6)(CC(C)/C=C(/C=C/C7OC(C8(OCCC(C8O)C)O)CC7O)\C)C
Compound: JWH022
SMILES: O=C(C=1C=2C(N(CCCC=C)C1)=CC=CC2)C=3C=4C(C=CC3)=CC=CC4
Compound: 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone
SMILES: O1C(C=2C(OC)=C(O)C(OC)=C(OC)C2)=CC(=O)C=3C1=CC(OC)=CC3O
Compound: Artelastofuran
SMILES: O1C(CC=2C1=C(C(O)=C3C2OC(=C(C3=O)CC=C(C)C)C4=C(O)C=C(O)C=C4)CC=C(C)C)C(O)(C)C
Compound: Limonexic acid
SMILES: O1[C@@]23[C@]4([C@@]([C@]56[C@@](CC4=O)(C(O[C@]5(CC(OC6)=O)[H])(C)C)[H])(CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=7C(OC(=O)C7)O)C)[H])C
Compound: Rhodojaponin III
SMILES: O1[C@H]2[C@@]3([C@@](O)(C([C@@H]12)(C)C)[C@@H](O)C[C@]45[C@]([C@]3(O)C)(CC[C@]([C@H]4O)([C@](O)(C5)C)[H])[H])[H]
Compound: Myricetin 5-methyl ether 7-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC(=C(O)C(=O)C3C(OC)=C2)C4=CC(O)=C(O)C(O)=C4)CO
Compound: Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C
Compound: Dinorhyocholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@H](C)C(O)=O)[H])(CC[C@@]2([C@@]4([C@]([C@H]1O)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: PI(P-16:0/20:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(O)=O
Compound: PG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: 5alpha-cholestan-3beta,6alpha,8beta,15alpha,24S-triol
SMILES: O[C@]12[C@]3([C@@]([C@](C[C@@H]3O)([C@@H](CC[C@H](O)C(C)C)C)[H])(CC[C@@]1([C@@]4([C@@]([C@@H](O)C2)(C[C@@H](O)CC4)[H])C)[H])C)[H]
Compound: PI(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: PS(O-20:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(P-16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PIM1(16:0/14:0)
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)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(P-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)CO/C=C\CCCCCCCCCCCCCC)(O)=O
Compound: PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)
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(OC(=O)/C(/C)=C\C)C=C4)CO
Compound: PI(14:0/18:2(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)CCCCCCCCCCCCC)(O)=O
Compound: OOB-PA
SMILES: P(OC[C@H](OC(=O)CCC=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: 3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid
SMILES: O[C@@H]1[C@@]2([C@]([C@@H](C(=O)CC2)CCC(=O)/C(/C)=C\C=C(\O)/C(O)=O)(CC1)[H])C
Compound: 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone
SMILES: O1C2=C(C(OC)=CC(OCC=C(C)C)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3
Compound: 28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 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)(CO)C)C7OCC(O)C(O)C7O
Compound: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)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: PC(O-18:0/3:1(2E))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)C=C)COCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: Kaempferol 3-(2''-galloyl-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@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)[C@@H](O)C1
Compound: Casticin 3'-glucoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C(C=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO
Compound: PG(O-20:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 6Z,8E-tricosdien-4,19-diynoic acid
SMILES: OC(=O)CCC#C/C=C\C=C\CCCCCCCCCC#CCCC
Compound: 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene
SMILES: O(C=1C(C/C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)=C(O)C=CC1O)C(=O)C
Compound: Elaterinide
SMILES: OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(OC(=O)C)(C)C
Compound: Robinetinidol-4alpha-ol
SMILES: O1[C@@H]([C@@H](O)[C@H](O)C2=C1C=C(O)C=C2)C3=CC(O)=C(O)C(O)=C3
Compound: Myricanene B 5-[arabinosyl-(1->6)-glucoside]
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3CCCCC=CCC4=CC(C(C3)=C(OC)C2OC)=C(O)C=C4)COC5OC(C(O)C5O)CO
Compound: 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)/C=C/C(=O)C=3C(OC)=CC(OC)=CC3O)CO
Compound: Glabrescione B
SMILES: O1C2=C(C(=O)C(C3=CC(OCC=C(C)C)=C(OCC=C(C)C)C=C3)=C1)C(OC)=CC(OC)=C2
Compound: 5,7-Dimethoxy-8-prenylflavan
SMILES: O1[C@@H](CCC2=C1C(=C(OC)C=C2OC)CC=C(C)C)C3=CC=CC=C3
Compound: PA(17:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PI(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: 13,14-dihydroxy-11-mulinen-20-oic acid
SMILES: O[C@@]1(C[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(C)C)(CC2)C(O)=O)[H])(C=C[C@@]1(O)C)[H])C)C
Compound: PI(20:3(8Z,11Z,14Z)/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: 2E,4Z,6Z,8Z-Decatetraenedioic acid
SMILES: OC(=O)/C=C\C=C/C=C\C=C\C(O)=O
Compound: PI(22:0/22:6(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)CCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 2-O-Galloyl-1,4-galactarolactone
SMILES: O1C(C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1=O)C(O)C(O)=O
Compound: 2'''-O-Rhamnosyl-2''-O-glucosylcytisoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(OC)C=C4)[H])CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C)CO
Compound: N-Formylnorfloxacin
SMILES: FC1=C(N2CCN(CC2)C=O)C=C3N(CC)C=C(C(=O)C3=C1)C(O)=O
Compound: PA(20:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Calomelanol I
SMILES: O1C(CC(=O)C=2C(O)=C3C(CC(OC3=CC12)=O)C4=CC=C(O)C=C4)C5=CC=CC=C5
Compound: 3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
SMILES: O1C(CCC(O)=O)=C(C(=C1/C=C/C)C)C(O)=O
Compound: ESTRIOL BENZYL ETHER
SMILES: O[C@@H]1C2(C(C3C(CC2)C4=C(CC3)C=C(OCC5=CC=CC=C5)C=C4)C[C@H]1O)C
Compound: PIM1(16:0/16:0)
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)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: Neoallilogenin
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: PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/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)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: 3,4,5-trihydroxy-6-{[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=3OC=C(C4=C(OC)C=5CCC(OC5C=C4O)(C)C)C(=O)C3C=C2)C(O)=O
Compound: methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate
SMILES: O1OC(CC1C(OO)C/C=C\CC)/C=C/CCCCCCC(OC)=O
Compound: PI(15:0/19:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)=O
Compound: Sophoradin
SMILES: OC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)/C=C/C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2
Compound: PI(P-18:0/18:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(O)=O
Compound: Echinoisosophoranone
SMILES: O1CC(C2=CC(C(C)(C)C=C)=C(O)C=C2OC)C(=O)C=3C1=CC(OC)=CC3O
Compound: PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)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: PG(O-16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(22:0/17:2(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)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 4-thiodimethylarsenobutanoic acid
SMILES: [As](=S)(CCCC(O)=O)(C)C
Compound: 3-tridecylphenol
SMILES: OC=1C=C(CCCCCCCCCCCCC)C=CC1
Compound: Sphenostylin C
SMILES: O1C2C(O)(C=3C1=C(CCC(O)(C)C)C(OC)=C(O)C3)COC4=C2C=CC(O)=C4
Compound: Ovalitenin A
SMILES: O1C2=C(C(OC)=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)C=C1
Compound: 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(O)C=C3)CO
Compound: OH-Diaponeurosporene glucoside ester
SMILES: O1[C@@H](OC(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)(C)C)C(O)C(O)[C@H](O)[C@H]1CO
Compound: Ximaosteroid D
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C=C)C)[H])(CC2)[H])[H])(CC1)C)C5OC(O)C(O)C(O)C5OC(=O)C
Compound: Corchoroside A
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5)C)CC4)C=O)CCC1(C(CC2)C=6COC(=O)C6)C
Compound: Erycristin
SMILES: O1C2C(C3=C1C(=C(OC)C=C3)CC=C(C)C)COC4=C2C=C(C(O)=C4)CC=C(C)C
Compound: HAVANENSIN TRIACETATE
SMILES: O1C23C4(C(C5(C(CC4OC(=O)C)C(C(OC(=O)C)CC5OC(=O)C)(C)C)C)CCC2(C(CC13)C=6C=COC6)C)C
Compound: (23S,25R)-12alpha,17alpha,23-trihydroxyspirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside
SMILES: OC1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O[C@@H]5OC([C@@H](O)[C@H](O)C5O[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C)CO)CC4)C)(C[C@@H]2O)[H])[H])(C[C@@H]1O[C@@]7(OC[C@@H](CC7O)C)C)[H])C)CC
Compound: OHODA-PG
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: 2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
SMILES: O1C2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C(C1)=CC(O)=C(O)C4
Compound: Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
SMILES: O([C@H]1[C@@H](OC(=O)C)C(O[C@@H](OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)[C@H]2O)C1O)C)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: (9R,12R,15S)-d10-13-PhytoF[13S,16S]
SMILES: O1[C@@](C[C@H](O)[C@@H]1CC)([C@H](O)/C=C/[C@H](O)CCCCCCCC(O)=O)[H]
Compound: PG(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)(OC[C@@H](O)CO)(O)=O
Compound: PI(18:3(6Z,9Z,12Z)/16:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: PA(20:1(11Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: Brosimacutin G
SMILES: O1[C@](C(O)(C)C)([C@@H](O)C2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=C(O)C=C3)[H]
Compound: PG(O-16:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(P-18:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Isobavachin
SMILES: O1[C@@H](CC(=O)C2=C1C(CC=C(C)C)=C(O)C=C2)C3=CC=C(O)C=C3
Compound: ent-4-D4t-NeuroP
SMILES: O[C@H]1[C@@H]([C@@H](C(=O)C1)C/C=C\C/C=C\C/C=C\CC)/C=C/[C@H](O)CCC(O)=O
Compound: Cannabipiperidiethanone
SMILES: O=C(C1=CN(CC2N(CCCC2)C)C=3C1=CC=CC3)CC=4C(OC)=CC=CC4
Compound: Propranolol glucuronide
SMILES: O1[C@@H](OC(CNC(C)C)COC=2C=3C(C=CC2)=CC=CC3)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC=2C3=C(OC(=CC3=O)C4=CC(OC)=C(OC)C(OC)=C4)C=C(OC)C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O
Compound: (+)-8-Hydroxy-5,5-dimethylpeltogynan
SMILES: O1[C@@]2([C@](OC=3C(C2)=C(O)C=C(O)C3)(C=4C(C1(C)C)=CC(O)=C(O)C4)[H])[H]
Compound: Maximaflavanone A
SMILES: O1C(C=CC=2C=3OC(CC(=O)C3C=C(C12)CC=C(C)C)C4=CC=CC=C4)(C)C
Compound: PIM1(17:0/18:1(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\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: DIHYDROGEDUNIN
SMILES: O1C23C4(C(C5(C(CC4OC(=O)C)C(C(=O)CC5)(C)C)C)CCC2(C(OC(=O)C13)C=6C=COC6)C)C
Compound: (9R,12S,15R)-d10-13-PhytoF[13R,16R]
SMILES: O1[C@](C[C@@H](O)[C@H]1CC)([C@@H](O)/C=C/[C@H](O)CCCCCCCC(O)=O)[H]
Compound: Neurosporaxanthin beta-D-glucopyranoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC(=O)\C(\C)=C\C=C\C(\C)=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=2C(CCCC2C)(C)C)/C)/C)\C)CO
Compound: PG(O-20:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(21:0/16:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 1-(2-methoxy-6Z-hexadecenyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCC/C=C\CCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Mucroquinone
SMILES: O1C[C@H](CC2=C1C(OC)=C(O)C=C2)C=3C(=O)C=C(OC)C(=O)C3
Compound: HTS 01037
SMILES: S1C(=CC(NC(=O)/C=C/C(O)=O)=C1C(OC)=O)C=2SC=CC2
Compound: Koaburanin
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(CCC3=C(O)C2)C4=CC=CC=C4)CO
Compound: 7alpha,12alpha-dihydroxy-3-oxocholest-4-en-27-oic acid
SMILES: O[C@@H]1[C@]2(C(C3C([C@@]4(C(CC3O)=CC(=O)CC4)C)C1)CC[C@@]2([C@@H](CCCC(C)C(O)=O)C)[H])C
Compound: 3'-Hydroxytrimethoprim
SMILES: O(C1=CC(CC=2C(=NC(=NC2)N)N)=CC(O)=C1OC)C
Compound: 1,1,3,3-tetraphenylurea
SMILES: O=C(N(C1=CC=CC=C1)C2=CC=CC=C2)N(C3=CC=CC=C3)C4=CC=CC=C4
Compound: Flemistrictin F
SMILES: O1C(C(O)CC=2C1=C(C=CC2O)C(=O)/C=C/C3=CC=CC=C3)(C)C
Compound: PI(O-16:0/0:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COCCCCCCCCCCCCCCCC)(O)=O
Compound: PKOHA-PI
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC(=O)/C=C/C=O)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(13:0/20:5(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)CCCCCCCCCCCC)(O)=O
Compound: Arachidonoyl-1-thio-Glycerol
SMILES: S(C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CC(O)CO
Compound: CAY10591
SMILES: O=C(NC1CCCC1)C2=C(N(C3=NC=4C(N=C23)=CC=CC4)CCCOC)N
Compound: PI(22:2(13Z,16Z)/17:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: PS(20:4(5Z,8Z,11Z,14Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)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: PI(18:4(6Z,9Z,12Z,15Z)/13:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-methoxy-3-(sulfooxy)phenyl]propanimidic acid
SMILES: S(OC=1C=C(CCC(=O)NCCC2=CC(OC)=C(OC)C=C2)C=CC1OC)(O)(=O)=O
Compound: 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside
SMILES: O([C@@H]1C(O)[C@H](O)[C@@H](OC1C)OC2=C(OC3=C(C2=O)C(O)=CC(OC)=C3CC=C(C)C)C4=CC(O)=C(OC)C=C4)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: PI(O-20:0/19:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(P-16:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(21:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(21:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Mytiloxanthin
SMILES: O[C@H]1CC([C@](C1)(C)C(=O)/C=C(\O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C#CC=2C(C[C@H](O)CC2C)(C)C)\C)\C)(C)C
Compound: SQMG(0:0/16:1(13Z))
SMILES: S(O)(=O)(=O)C[C@H]1O[C@H](OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CC)CO)C(O)C(O)[C@@H]1O
Compound: Malyngic acid
SMILES: O[C@@H](CCCCCCCC(O)=O)/C=C/[C@@H](O)[C@@H](O)C/C=C\CC
Compound: Isoorientin 7,3',4'-trimethyl ether
SMILES: O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C=2C(O)=C3C(OC(=CC3=O)C4=CC(OC)=C(OC)C=C4)=CC2OC)[H]
Compound: N-Oxide abiraterone sulfate
SMILES: S(O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)(C(=CC4)C5=C[N+]([O-])=CC=C5)C)[H])(CC2)[H])[H])(CC1)C)(O)(=O)=O
Compound: Orotinichalcone
SMILES: O1C(C=CC2=C1C(=C(O)C(=C2OC)C(=O)/C=C/C3=C(O)C=CC=C3O)CC=C(C)C)(C)C
Compound: Didesmethylchlorpheniramine
SMILES: ClC1=CC=C(C(CCN)C=2N=CC=CC2)C=C1
Compound: Pisumoside B
SMILES: OC12CC3(C(C4(C(C(O)C3O)C(CCC4)(C)C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)=O)C)CC1)CC2CO
Compound: Alepric acid
SMILES: OC(=O)CCCCCCCCC1CCC=C1
Compound: Medicoside E
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)(CO)C)C7OCC(O)C(OC8OC(C(O)C(O)C8O)CO)C7O
Compound: 24-methylene-cholesterol sulfate
SMILES: S(O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(C(C)C)=C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)(O)(=O)=O
Compound: Spinochalcone C
SMILES: O1C(C=CC=2C1=C(CC=C(C)C)C(O)=C(C2)C(=O)/C=C/C3=CC=CC=C3)(C)C
Compound: Limocitrin 3-sophoroside
SMILES: O(C1C(O)[C@H](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(O)[C@H]5O)CO
Compound: PGP(a-13:0/i-24:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(CC)C)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: Sucrose monostearate
SMILES: O1C(OC2OC(C(O)C(O)C2O)CO)(C(O)C(O)C1CO)CO.OC(=O)CCCCCCCCCCCCCCCCC
Compound: PI(O-18:0/22:2(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)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PI(19:0/17:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(22:2(13Z,16Z)/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)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PGP(i-12:0/i-12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: Hoduloside IV
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)CO)CC6)(C)C)C)CC4)C)(C2)C1)C)C=C(C)C
Compound: PA(22:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Flowerone
SMILES: O1[C@@H](CC(=O)C2=C1C(O)=C(O)C=C2O)C3=CC(CC=C(C)C)=C(O)C=C3
Compound: Lanceolin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
Compound: PA(12:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: DG(13D5/11M5/0:0)
SMILES: O1C(CCCCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC=2OC(CCCCC)=CC2C)CO)=O)=C(C(=C1CCCCC)C)C
Compound: Thenyldiamine
SMILES: S1C=C(CN(CCN(C)C)C=2N=CC=CC2)C=C1
Compound: 7-methoxy-dodec-4-enoic acid
SMILES: O(C(CCCCC)C/C=C/CCC(O)=O)C
Compound: LPIM2(17:0/0:0)
SMILES: P(OC1C(O[C@@H]2OC([C@H](O)C(O)[C@@H]2O)CO)C(O)C(O)C(O)[C@H]1O[C@H]3OC([C@@H](O)C(O)[C@H]3O)CO)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: Glc-GP(18:0/20:0)
SMILES: P(O[C@@H]1O[C@@H]([C@@H](O)C(O)C1O)CO)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
Compound: 15-phenyl pentadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCC1=CC=CC=C1
Compound: PI(17:0/20:5(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)CCCCCCCCCCCCCCCC)(O)=O
Compound: Eriodictin
SMILES: O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)C
Compound: Pollenitin 8-butyrate
SMILES: O1C2=C(C(O)=CC(OC)=C2OC(=O)CCC)C(=O)C(O)=C1C3=CC=C(O)C=C3
Compound: (E)-1,3-dichloropropene
SMILES: ClC\C=C\Cl
Compound: Chamanetin
SMILES: O1C(CC(=O)C=2C1=C(CC=3C(O)=CC=CC3)C(O)=CC2O)C4=CC=CC=C4
Compound: 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
SMILES: O1C(C=CC=2C1=CC(OC)=C3C2OC(=C(OC)C3=O)C4=CC=CC=C4)(C)C
Compound: Tarasaponin I
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(OC7OCC(O)C(O)C7O)C(OC8OC(C(O)C(O)C8O)CO)C6O)C(O)=O
Compound: PI(16:0/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(P-20:0/17:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one
SMILES: O[C@H](C(C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2)(C)C)CCCCC
Compound: 15-Oxo-21-hydroxymabiogenin 3-[rhamnosyl-(1->6)-glucoside]
SMILES: O1[C@@]2([C@]([C@@]3([C@]([C@]4(C([C@@]5(C(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)CC4)C)CC3)C)(C1=O)C)[H])(C(O[C@@H]2CC=C(C)C)=O)[H])CO
Compound: PA(22:5(4Z,7Z,10Z,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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: MIPC(d18:0/16:0)
SMILES: P(O[C@@H]1C(O[C@H]2O[C@@H]([C@@H](O)C(O)C2O)CO)[C@H](O)C(O)C(O)C1O)(OC[C@H](NC(=O)CCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(O-18:0/14:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(O-16:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
SMILES: O(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(=O)C
Compound: {[4-(7-methoxy-2-oxo-2H-chromen-6-yl)butan-2-yl]oxy}sulfonic acid
SMILES: S(OC(CCC1=C(OC)C=C2OC(=O)C=CC2=C1)C)(O)(=O)=O
Compound: Cardamonin
SMILES: O(C=1C(=C(O)C=C(O)C1)C(=O)/C=C/C2=CC=CC=C2)C
Compound: (9R,12R,15R)-d10-13-PhytoF[13S,16S]
SMILES: O1[C@@](C[C@@H](O)[C@@H]1CC)([C@H](O)/C=C/[C@H](O)CCCCCCCC(O)=O)[H]
Compound: PA(16:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)(O)=O
Compound: DAUDA
SMILES: S(=O)(=O)(NCCCCCCCCCCC(O)=O)C=1C2=C(C(N(C)C)=CC=C2)C=CC1
Compound: Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(OC)=CC(OC)=C3)C4=CC(OC)=C(OC)C=C4)CO
Compound: Gossypetin 7-methyl ether 8-acetate
SMILES: O1C2=C(C(=O)C(O)=C1C3=CC(O)=C(O)C=C3)C(O)=CC(OC)=C2OC(=O)C
Compound: Tephrowatsin D
SMILES: O1C(OC)(CCC2=C1C(=C(OC)C=C2OC)CC=C(C)C)C3=CC=CC=C3
Compound: Unanisoflavan
SMILES: O1CC(CC2=C1C=C(O)C=C2)C3=CC(C(C)(C)C=C)=C(OC)C(O)=C3OC
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[3-hydroxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)butan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)(C)C)COC=1C2=C(OC=C2)C=C3OC(=O)C=CC13)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: LPIM2(18:2(9Z,12Z)/0:0)
SMILES: P(OC1C(O[C@@H]2OC([C@H](O)C(O)[C@@H]2O)CO)C(O)C(O)C(O)[C@H]1O[C@H]3OC([C@@H](O)C(O)[C@H]3O)CO)(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: OKOOA-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: 2-Hydroxy-desipramine glucuronide
SMILES: O1[C@@H](OC2=CC3=C(N(C=4C(CC3)=CC=CC4)CCCNC)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 1-(2-methoxy-6Z-pentadecenyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(13:0/14:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCC)(O)=O
Compound: PGP(16:0/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PG(22:1(11Z)/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)CCCCCCCCC/C=C\CCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 1-Oleoylglycerophosphoserine
SMILES: P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(OCC(N)C(O)=O)(O)=O
Compound: 4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
SMILES: O1[C@@H](C[C@@H](O)C2=C1C(=C(OC)C=C2O)CC=C(C)C)C3=CC=C(O)C=C3
Compound: PC(22:2(13Z,16Z)/22:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: Neoconvallatoxoloside
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)C)CC4)CO)CCC1(C(CC2)C=7COC(=O)C7)C
Compound: Morusignin L
SMILES: O1C(C=CC2=C1C=C3OC(=C(CCC(O)(C)C)C(=O)C3=C2O)C4=C(O)C=C(O)C=C4)(C)C
Compound: PC(8:2(2E,4E)/8:2(2E,4E))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)\C=C\C=C\CCC)COC(=O)\C=C\C=C\CCC)([O-])=O
Compound: Ro 31-6045
SMILES: O=C1N(C(=O)C(=C1C=2C=3C(NC2)=CC=CC3)C=4C=5C(NC4)=CC=CC5)C
Compound: punaglandin 2
SMILES: ClC=1C(=O)[C@@]([C@@](O)(C/C=C\CCCCC)C1)([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O)[H]
Compound: 22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid
SMILES: [As](=O)(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O)(C)C
Compound: PA(18:3(9Z,12Z,15Z)/15:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: PA(15:1(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\CCCCC)(O)(O)=O
Compound: PE(22:4(7Z,10Z,13Z,16Z)/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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PG(O-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)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
SMILES: O1C2=C(C3C(O)C(OC4=C3C=CC(O)=C4)C5=CC(O)=CC=C5)C(O)=C(C6C(O)C(OC7=C6C=CC(O)=C7)C8=CC(OC)=C(O)C=C8)C(O)=C2CC(O)C1C9=CC(O)=CC=C9
Compound: PI(21:0/16:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(19:1(9Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(19:0/22:4(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)CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)
SMILES: O1C([C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)C
Compound: Lathycarpin
SMILES: O1C2C(O)(C=3C1=CC=4OCOC4C3)COC=5C2=CC(OC)=C(OC)C5
Compound: 2-Hydroxy-7,8-dehydrograndiflorone
SMILES: O=C1C(C(=O)C(C(=O)C1(C)C)=C(O)/C=C/C=2C(O)=CC=CC2)(C)C
Compound: PI(22:2(13Z,16Z)/20:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: 5,7-octadecadiynoic acid
SMILES: OC(=O)CCCC#CC#CCCCCCCCCCC
Compound: Euchrenone b4
SMILES: O1C2=C(C(O)=C(C(O)=C2C(=O)C(C=3C(OC)=CC=4OCOC4C3)=C1)CC=C(C)C)CC=C(C)C
Compound: PI(O-18:0/20:3(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)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: Withaperuvin D
SMILES: O1[C@@]2([C@@]3(O)[C@@]([C@@]4([C@]([C@@]5(O)[C@@]([C@@](O)(CC5)[C@@](O)([C@@]6(OC(=O)C(=C(C6)C)C)[H])C)(CC4)C)(C2)[H])[H])(C(=O)C[C@@]1([C@@H]3O)[H])C)[H]
Compound: alpha,alpha'-Trehalose 6,6'-dipalmitate
SMILES: O([C@H]1OC([C@@H](O)C(O)C1O)COC(=O)CCCCCCCCCCCCCCC)[C@H]2OC([C@@H](O)C(O)[C@H]2O)COC(=O)CCCCCCCCCCCCCCC
Compound: Salbutamol 4-O-sulfate
SMILES: S(OC1=C(C=C(C(O)CNC(C)(C)C)C=C1)CO)(O)(=O)=O
Compound: 16:2-Glc-Campesterol
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@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCC/C=C\C/C=C\CCCCC
Compound: 1-O-(1E,3E,5E,7E,9E-heneicosapentenyl)-sn-glycerol
SMILES: O(C[C@@H](O)CO)\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCCC
Compound: PI(O-16:0/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(O)=O
Compound: PA(22:1(11Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)(O)=O
Compound: OKODA-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: 2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(O)C=3C(C(O)C(OC3C=C2O)C4=CC(O)=CC=C4)C=5C=6OC(C(O)CC6C(O)=CC5O)C7=CC(O)=CC=C7
Compound: 6-Cinnamoyl-1,2-digalloylglucose
SMILES: O1C(C(O)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)COC(=O)/C=C/C4=CC=CC=C4
Compound: Dinor-alpha-muricholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@H](C)C(O)=O)[H])(CC[C@@]2([C@@]4([C@]([C@@H]1O)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Compound: 5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid
SMILES: OC(CCCC(O)=O)C(O)/C=C/C=C/C#C\C=C\C(O)CCCCC
Compound: 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
SMILES: O([C@H]1C(O)[C@@H](O)C(OC1OC(CCCCCCC)CC(OC(CCCCCCC)CC(O)=O)=O)C)C2OC([C@H](O)C(O)[C@@H]2OC(=O)/C=C/CCCCCCC)C
Compound: Enterocin 900
SMILES: O1C2=C(C=C3CCCCCC3=C2)C(=C1C4=CC=CC=C4)C5=CC=C(OCCN6CCCC6)C=C5
Compound: PG(O-18:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 1-(O-alpha-D-glucopyranosyl)-29-keto-(1,3R,31R)-dotriacontanetriol
SMILES: O1C([C@@H](O)C(O)[C@H](O)[C@H]1OCC[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C[C@H](O)C)CO
Compound: ent-7-epi-4-D4c-NeuroP
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\C/C=C\C/C=C\CC)/C=C/[C@H](O)CCC(O)=O
Compound: Evasterioside C
SMILES: S(OCC(\C=C\[C@H]([C@@]1([C@@]2([C@]([C@@]3(O)[C@@]([C@@]4([C@@]([C@H](O)C3)(C[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5O)CC4)[H])C)(CC2)[H])([C@@H](O)C1)[H])C)[H])C)C)([O-])(=O)=O.[Na+]
Compound: AKB48
SMILES: O=C(NC12CC3CC(C1)CC(C2)C3)C4=NN(C=5C4=CC=CC5)CCCCC
Compound: PE(8:0/8:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(OCCN)(O)=O
Compound: PIM1(17:0/14:0)
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)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: 1,2,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol
SMILES: O1[C@@H]([C@H]1C#CC#CCCC(OC(OC(=O)CCC#CC#C[C@H]2O[C@@H]2CCC\C=C/C=C\CC)COC(=O)CCC#CC#C[C@H]3O[C@@H]3CCC\C=C/C=C\CC)=O)CCC\C=C/C=C\CC
Compound: PI(17:1(9Z)/20:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(O)=O
Compound: 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
SMILES: O1C=2C(C=3C=C(C=4OC=5C(C(=O)C4)=C(O)C=C(O)C5)C=CC3O)=C(O)C=C(O)C2C(=O)C=C1C6=CC(OC)=C(O)C=C6
Compound: PI(19:0/18:3(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)CCCCCCCCCCCCCCCCCC)(O)=O
Compound: 6-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
SMILES: OC(=O)C1C(CC(=CC1C=2C(O)=C(C=CC2O)C(=O)CCC3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4
Compound: Amorphigenin O-vicianoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(C2OC3=C(C2)C=4OC5C(C(=O)C4C=C3)C=6C(OC5)=CC(OC)=C(OC)C6)=C)CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O
Compound: Pelargonidin 3-rhamnoside
SMILES: O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C
Compound: 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
SMILES: O1[C@]2([C@](C3=C(O[C@@H]2C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3)(C=5C(C1=O)=CC(O)=C(O)C5O)[H])[H]
Compound: 11-oxo-undeca-5,9-dienoic acid
SMILES: OC(=O)CCC/C=C\CC/C=C/C=O
Compound: Ceratiolin
SMILES: OC1(C(=O)C(=C(O)C(=C1O)C)C(=O)CCC2=CC=CC=C2)C
Compound: Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate
SMILES: BrC#CCC(CCC/C(=C\C=C\C([C@@H]1[C@H](C1)CCCC(OC)=O)C)/C)C
Compound: (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol
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@@]([C@@H](O)[C@H]2O)([C@@H](O)[C@@H](O)CC4)[H])C)[H])C)[H]
Compound: PA(13:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PI(19:0/20:4(5Z,8Z,11Z,14Z))
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\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(O)=O
Compound: PG(18:4(6Z,9Z,12Z,15Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: PG(19:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Zeaxanthin diglucoside/ Zeaxanthin beta-D-diglucoside
SMILES: O([C@H]1CC(C(=C(C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@H](O[C@@H]3O[C@@H]([C@@H](O)C(O)C3O)CO)CC2C)(C)C)\C)\C)(C)C)[C@@H]4O[C@@H]([C@@H](O)C(O)C4O)CO
Compound: PI(14:0/16:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O
Compound: (1,3-diphenylpropoxy)sulfonic acid
SMILES: S(OC(CCC1=CC=CC=C1)C2=CC=CC=C2)(O)(=O)=O
Compound: 2-Decarboxybetanin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3CC\[N+](\C3=CC2O)=C/C=C/4\CC(NC(=C4)C(O)=O)C(O)=O)CO
Compound: 1-dimethylarsinoyl-decane
SMILES: [As](=O)(CCCCCCCCCC)(C)C
Compound: N-(2-phenylethyl)-Indomethacin amide
SMILES: ClC1=CC=C(C(=O)N2C(=C(C3=C2C=CC(OC)=C3)CC(=O)NCCC4=CC=CC=C4)C)C=C1
Compound: Munchiwarin
SMILES: O=C1C(CC=C(C)C)(CC=C(C)C)C(=O)/C(/C=C1CC=C(C)C)=C(\O)/C=C/C2=CC=C(O)C=C2
Compound: PS(12:0/20:5(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)CCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(P-16:0/17:2(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\CCCCCCCCCCCCCC)(O)=O
Compound: PI(22:2(13Z,16Z)/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)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: PA(15:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: PI(17:1(9Z)/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\CCCCCCC)(O)=O
Compound: 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(C(OC)=C3C(OC(CC3=O)C4=CC(O)=C(O)C=C4)=C2)C)CO
Compound: Norfluoxetine glucuronide
SMILES: FC(F)(F)C1=CC=C(OC(CCN[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CC=C3)C=C1
Compound: 8-Acetoxy-4'-methoxypinoresinol
SMILES: O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(OC)C=C3)C1)C4=CC(OC)=C(O)C=C4
Compound: PS(22:4(7Z,10Z,13Z,16Z)/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)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: Lupinisoflavone G
SMILES: O1C(C(O)(C)C)CC2=C1C=C3OC=C(C(=O)C3=C2O)C4=CC(CC=C(C)C)=C(O)C=C4
Compound: PA(12:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: DG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)CO)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PA(O-16:0/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Elephantorrhizol
SMILES: O1[C@@H]([C@@H](O)CC=2C1=C(O)C(O)=C(O)C2O)C3=CC(O)=C(O)C=C3
Compound: PKODiA-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
Compound: PG(22:1(11Z)/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate
SMILES: O1OC(CC1C2OOC(C2)/C=C/CCCCCCC(OC)=O)C(OO)CC
Compound: UDP-3-O-(beta-hydroxymyristoyl)-GlcNAc
SMILES: P(O[C@H]1OC([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)C1NC(=O)C)CO)(OP(OC[C@H]2O[C@@H](N3C(=O)NC(=O)C=C3)[C@@H](O)C2O)(O)=O)(O)=O
Compound: Stemonone
SMILES: O1C2=C(C=3C(OC2=O)=CC(OC)=C(OC)C3)C(=O)C=4C1=CC(OC)=CC4O
Compound: PC(O-10:1(9E)/2:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)C)COCCCCCCCCC=C)([O-])=O
Compound: Abyssinone IV
SMILES: O1C(C2=CC(=C(O)C(=C2)CC=C(C)C)CC=C(C)C)CC(=O)C3=C1C=C(O)C=C3
Compound: Quercetin 3-(2''-galoylrutinoside)
SMILES: O1C([C@@H](O)[C@H](O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C
Compound: 8-Hydroxyhesperetin
SMILES: O1[C@@H](CC(=O)C2=C1C(O)=C(O)C=C2O)C3=CC(O)=C(OC)C=C3
Compound: Sanchinoside B1
SMILES: O(C1C2C(C3C(C4(C(C(O)C3)C(CC4)/C(/C)=C/CCC(O)(C)C)C)(C1)C)(CCC(O)C2(C)C)C)C5OC(C(O)C(O)C5O)CO
Compound: 5-hydroxy-8-(hydroxymethyl)-8-methyl-6-(2-methylpropanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one
SMILES: O1C(C=CC=2C1=C(C(O)=C3C2OC(=O)C=C3C4=CC=CC=C4)C(=O)C(C)C)(CO)C
Compound: Licoflavone B
SMILES: O1C2=C(C=C(CC=C(C)C)C(O)=C2)C(=O)C=C1C3=CC(CC=C(C)C)=C(O)C=C3
Compound: PG(17:1(9Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(22:2(13Z,16Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: 1-(2-methoxy-6Z-heptadecenyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CCC/C=C\CCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 5,5-Bis(4-hydroxyphenyl)hydantoin
SMILES: O=C1NC(=O)NC1(C2=CC=C(O)C=C2)C3=CC=C(O)C=C3
Compound: 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
SMILES: O(C1C(O)C(O)C(OC1CO)OC2=CC=3OC(CC(=O)C3C(OC)=C2)C4=CC(O)=C(O)C=C4)C5OC(C(O)C(O)C5O)CO
Compound: TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O([C@H](COC(=O)CCCC/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)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: chlorovulone II
SMILES: ClC1=C[C@](O)(C/C=C\CCCCC)/C(/C1=O)=C\C=C\CCCC(OC)=O
Compound: PA(20:2(11Z,14Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PI(P-16:0/22:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)(O)=O
Compound: Cappariloside B
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(NC=C3CC#N)C=CC2)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
Compound: PA(22:1(11Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)(O)=O
Compound: 16:3-Glc-Cholesterol
SMILES: O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCC/C=C\C/C=C\C/C=C\CC
Compound: 20-trifluoro-LTB4
SMILES: FC(F)(F)CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O
Compound: Fenirofibrate
SMILES: ClC1=CC=C(C(O)C2=CC=C(OC(C)(C)C(O)=O)C=C2)C=C1
Compound: Skullcapflavone I 2'-(2''-E-cinnamoylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC=CC=C2)[C@@H]1OC=3C(C=4OC5=C(C(=O)C4)C(O)=CC(OC)=C5OC)=CC=CC3)CO
Compound: PI(20:1(11Z)/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)CCCCCCCCC/C=C\CCCCCCCC)(O)=O
Compound: Kaempferol 3-(6''-galloylgalactoside)
SMILES: O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5
Compound: Vitexin 4'-O-glucoside-2''-O-rhamnoside
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@@H]5OC([C@@H](O)C(O)C5O)CO)C=C4)[H])CO)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: PI(P-20:0/19:1(9Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(O)=O
Compound: PE-Cer(d15:1(4E)/20:0(2OH))
SMILES: P(OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCC)(OCCN)(O)=O
Compound: 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
SMILES: O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(OC)=C(OCC=C(C)C)C(OC)=C3
Compound: PI(19:1(9Z)/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)=O
Compound: PGP(18:3(9Z,12Z,15Z)/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)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PI(O-18:0/18:2(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)COCCCCCCCCCCCCCCCCCC)(O)=O
Compound: O-Desmethyltolrestat sulfate
SMILES: S(OC1=C(C2=C(C(=CC=C2)C(=S)N(CC([O-])=O)C)C=C1)C(F)(F)F)(O)(=O)=O
Compound: PI(O-20:0/18:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(O)=O
Compound: 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
SMILES: S(C(C(O)CO)C1=CC=CC=C1)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Compound: 2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid
SMILES: S(O)(=O)(=O)CCOC(=O)/C=C(\CCCCC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCC)C)/C
Compound: JWH 309
SMILES: O=C(C1=CN(CCCCC)C(C=2C=3C(C=CC2)=CC=CC3)=C1)C=4C=5C(C=CC4)=CC=CC5
Compound: Hoiamide C
SMILES: S1C[C@@](N=C1[C@@]2(N=C(SC2)C=3N=C(SC3)C[C@H](OC)[C@@H]([C@H](O)[C@H]([C@@H](O)[C@@H](CCC)C)C)C)C)(C(=O)N[C@@H]([C@H](CC)C)[C@@H](O)[C@@H](C)C(OCC)=O)C
Compound: Barbatoflavan
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C3O[C@@H]([C@H](OC(=O)C)CC3=C(OC)C=C2O)C4=CC(O)=C(O)C=C4)CO
Compound: (-)-Asbestinine 2
SMILES: O1[C@]2([C@@]3([C@@]4([C@@]1(CC(=CCC(OC(=O)CCC)[C@@]2(OC[C@@H]([C@@]3(C[C@H]([C@H]4OC(=O)CCC)C)[H])C)C)C)[H])[H])[H])[H]
Compound: PG(22:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(19:1(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\CCCCCCCCC)(O)=O
Compound: 1-(2-methoxy-5Z-hexadecenyl)-sn-glycero-3-phosphoserine
SMILES: P(OC[C@H](O)COCC(OC)CC/C=C\CCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside
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[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C4)C=C2)CO)[C@@H]6OCC(O)([C@@H]6O)CO
Compound: 24-hydroxyvitamin D2
SMILES: OC(\C=C\[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)CCC3=C)[H])C)[H])C)(C(C)C)C
Compound: 4-hydroxycyclophosphamide
SMILES: OC1CCOP(=O)(N1)N(CCCl)CCCl
Compound: PI(22:2(13Z,16Z)/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)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: PG(17:1(9Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PI(17:0/21:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: TG(17:2(9Z,12Z)/20:0/20:0)[iso3]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC
Compound: 6-Butyryl-5-hydroxy-4-phenylseselin
SMILES: O1C(C=CC=2C1=C(C(O)=C3C2OC(=O)C=C3C4=CC=CC=C4)C(=O)CCC)(C)C
Compound: 2-Ethyl-1,6-dioxaspiro[4.4]nonane
SMILES: O1C2(OCCC2)CCC1CC
Compound: LPIM1(19:1(9Z)/0:0)
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](O)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)=O
Compound: PI(20:4(5Z,8Z,11Z,14Z)/22:1(11Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)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: 1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SMILES: P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COC(=O)CCCCCC5CC6C7C(C8C7CC8)C6CC5)(OC[C@@H](O)CO)(O)=O
Compound: PE-Cer(d14:2(4E,6E)/20:1(11Z))
SMILES: P(OC[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@H](O)\C=C\C=C\CCCCCCC)(OCCN)(O)=O
Compound: methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate
SMILES: O1[C@@H]([C@H]1C#CC#CCCC(OC)=O)CCC\C=C/C=C\CC
Compound: PA(12:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: PA(O-18:0/20:5(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)COCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Ginsenoside Rh5
SMILES: O([C@@H]1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](OC)(CCC=C(C)C)C)[H])([C@H](O)C3)[H])C)(C1)C)[H])(CC[C@H](O)C2(C)C)C)[H])[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: norcisapride
SMILES: ClC=1C=C(C(=O)NC2C(OC)CNCC2)C(OC)=CC1N
Compound: 25-O-Deacetylrifabutin
SMILES: O1C2=C3C4=C5NC6(N=C5C(=NC(=O)C(=CC=C[C@@H]([C@H](O)[C@H]([C@@H](O)[C@H]([C@H](O)[C@@H]([C@@H](OC)C=CO[C@@]1(C3=O)C)C)C)C)C)C)C(O)=C4C(O)=C2C)CCN(CC6)CC(C)C
Compound: 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SMILES: P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COC(=O)CCCCCC5C6C7C(C8C7C9C8CC9)C6C5)(OC[C@@H](O)CO)(O)=O
Compound: PA(19:0/22:6(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)CCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PG(18:3(6Z,9Z,12Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SMILES: P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COC(=O)CCCCCCCC5CC6C7C(C8C7CC8)C6CC5)(OC[C@@H](O)CO)(O)=O
Compound: Orientin 7-O-sulfate
SMILES: S(OC1=C([C@@]2(OC([C@@H](O)[C@H](O)C2O)CO)[H])C=3OC(=CC(=O)C3C(O)=C1)C4=CC(O)=C(O)C=C4)(O)(=O)=O
Compound: Lippioside II
SMILES: OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C(O)=O)C
Compound: Gossypetin 3-glucoside
SMILES: O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3O)C4=CC(O)=C(O)C=C4)CO