MonarchInit/C3PO huggingface dataset:
Compound: 1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)vitamin D3
SMILES: OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)[C@H](OCCCO)[C@H](O)C3=C)[H])C)[H])C)(C)C
Compound: 23Z-dotriacontenoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC
Compound: (5Z)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide
SMILES: [S@@]1(=O)C/C(=C\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CCC2)C)[H])/C([C@@H](O)C1)=C
Compound: 2-triacontanone
SMILES: O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C
Compound: 1-octadecyl-11E-hexadecenoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCC/C=C/CCCC
Compound: (6R)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct
SMILES: O[C@@H]1CC=2[C@H](N3N(CC2CC1)C(=O)N(C3=O)C4=CC=CC=C4)\C=C/5\[C@]6([C@@]([C@](CC6)([C@@H](CCCC(C)C)C)[H])(CCC5)C)[H]
Compound: 1-octadecyl-heptadecanoate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCC
Compound: 2-octadecanoyl-1-hexadecyl-sn-glycerol
SMILES: O(CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO
Compound: PA(15:0/15:0)[U]
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(O)(O)=O
Compound: (3S,4R,3'R)-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)CC2C)(C)C)\C)\C)(C)C
Compound: PC(10:0/16:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)([O-])=O
Compound: 1,1'-(OH)2-2-keto-3,4,3',4'-tetradehydrolycopene
SMILES: OC(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(/C=C/C(=O)C(O)(C)C)\C)\C)\C)/C)(C)C
Compound: bio-5'-AMP
SMILES: S1C(C2NC(=O)NC2C1)CCCCC(OP(OCC3OC(N4C5=NC=NC(N)=C5N=C4)C(O)C3O)(O)=O)=O
Compound: 18:3-16:3-PA
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)([O-])([O-])=O
Compound: DG(15:0/20:2(11Z,14Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO
Compound: PC(10:0/18:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)([O-])=O
Compound: PA(O-16:0/O-16:0)
SMILES: P(OC[C@H](OCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: Hemsleyin imine A
SMILES: O=C(/N=C(/C(O)\C=C\CCCCCCCCCCCCCCCC)\CO)CCCCCCCCCCCCCCCCC
Compound: PE(14:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Decaprenoxanthin
SMILES: OC\C(=C\C[C@@H]1C([C@@H](C(=CC1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\[C@H]2C([C@H](CC=C2C)C/C=C(/CO)\C)(C)C)/C)/C)(C)C)\C
Compound: PE(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)(OCCN)(O)=O
Compound: DG(17:0/20:3(8Z,11Z,14Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: PC(12:0/18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC)([O-])=O
Compound: PC(10:0/20:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)([O-])=O
Compound: Dipalmitoylphosphatidylserine
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: Rhizochalinin D
SMILES: O1[C@@H](O[C@H](CCCCCCCCCCCCCCC(=O)CCCCCCCC[C@@H](O)[C@H](N)C)[C@H](N)C)C(O)C(O)C(O)[C@H]1CO
Compound: PC(10:0/21:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)([O-])=O
Compound: 16:0-t16:1-PG
SMILES: P(OC[C@H](OC(=O)C\C=C\CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)([O-])=O
Compound: PC(14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)([O-])=O
Compound: DG(17:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(17:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(19:0/22:2(13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO
Compound: PS(14:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(14:1(9Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PC(O-14:0/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COCCCCCCCCCCCCCC)([O-])=O
Compound: 1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SMILES: P(OC[C@H](OCCCCCCCCC1CC2C3C(C4C3CC4)C2CC1)COCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Crasseride 2a
SMILES: O(C1C(O)[C@@H](O)[C@@H](O)C1O)C[C@@H](OC(=O)CCCCCCCC(CCCCCC)C)COCCCCCCCCCC(CCCCCC)C
Compound: 18:0-18:3-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCC[NH3+])([O-])=O
Compound: DG(18:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(16:1(9Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)CO
Compound: bacteriohopane-,32,33,34-triol-35-cyclitol
SMILES: O[C@H](CC[C@@H](C1C2[C@@](C3[C@]([C@]4(C([C@@]5(C(CC4)C(CCC5)(C)C)C)CC3)C)(CC2)C)(CC1)C)C)C(O)[C@@H](O)COC6[C@@](O)(C(O)[C@H](O)C6N)CO
Compound: 18:0-t16:1-PG
SMILES: P(OC[C@H](OC(=O)C\C=C\CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)([O-])=O
Compound: 18:2-18:3-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCC[NH3+])([O-])=O
Compound: Lysine-containing siolipin
SMILES: OC(CCCCCCCCCCC(C)C)CC(=O)NC(CCCCN)C(OCCOC(=O)C(O)CCCCCCCCCCC(C)C)=O
Compound: 16:0-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: DG(16:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: PE(O-18:0/16:0)[U]
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Galactosylceramide (d18:1/18:0)
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C\CCCCCCCCCCCCC)CO
Compound: DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(18:3(6Z,9Z,12Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(18:2(9Z,12Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO
Compound: DG(18:1(11Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO
Compound: DG(18:0/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO
Compound: 18:1-16:1-MGDG
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H](OC(=O)CCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)CO
Compound: 18:0-16:1-MGDG
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H](OC(=O)CCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CO
Compound: PG(18:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 18:2-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 18:2-18:2-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 18:0-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: PE(O-18:0/O-18:0)
SMILES: P(OC[C@H](OCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: DG(20:2(11Z,14Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO
Compound: PC(O-16:0/17:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)([O-])=O
Compound: DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: Galactosylceramide (d18:1/20:0)
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(NC(=O)CCCCCCCCCCCCCCCCCCC)C(O)/C=C\CCCCCCCCCCCCC)CO
Compound: DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO
Compound: 22:0-18:3-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCC[NH3+])([O-])=O
Compound: 22:0-18:2-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OCC[NH3+])([O-])=O
Compound: 20:3-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 20:2-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 20:1-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 20:0-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 20:0-18:2-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: (13S)-12,13-epoxyoctadeca-9,11-dienoic acid
SMILES: [H]C(CCCCCCCC(O)=O)=CC([H])=C1O[C@@]1([H])CCCCC
Compound: DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO
Compound: CerP(d18:1/26:1(17Z))
SMILES: P(OC[C@H](NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCCCC)(O)(O)=O
Compound: 24:1-18:3-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OCC[NH3+])([O-])=O
Compound: 24:0-18:2-PE
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCC[NH3+])([O-])=O
Compound: 16:1-18:3-PI
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)([O-])=O
Compound: 22:2-18:3-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: 22:1-18:3-PC
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: 20:0-18:1-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 22:0-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 22:0-18:2-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 22:0-18:1-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(22:4(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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC[N+](C)(C)C)(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\C/C=C\CCCCC)([O-])=O
Compound: 18:1-18:3-PI
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC[N+](C)(C)C)(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\CCCCCCCC)([O-])=O
Compound: 22:1-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: PC(18:2(9Z,12Z)/24:1(15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: 24:0-18:2-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 18:2-18:2-PI
SMILES: P(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: 18:0-18:3-PI
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)([O-])=O
Compound: 24:0-18:3-PS
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OC[C@H]([NH3+])C([O-])=O)([O-])=O
Compound: 3-methylbenzylsuccinic acid
SMILES: CC1=CC(CC(CC(O)=O)C(O)=O)=CC=C1
Compound: 4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
SMILES: CCN1OCC(NC(=O)C2=C(C)C=C(C=C2)C2=NOC(C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O
Compound: (4R,5S)-isocycloseram
SMILES: CCN1OC[C@@H](NC(=O)C2=C(C)C=C(C=C2)C2=NO[C@@](C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O
Compound: (4R,5R)-isocycloseram
SMILES: CCN1OC[C@@H](NC(=O)C2=C(C)C=C(C=C2)C2=NO[C@](C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O
Compound: (4S,5R)-isocycloseram
SMILES: CCN1OC[C@H](NC(=O)C2=C(C)C=C(C=C2)C2=NO[C@](C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O
Compound: (4S,5S)-isocycloseram
SMILES: CCN1OC[C@H](NC(=O)C2=C(C)C=C(C=C2)C2=NO[C@@](C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O
Compound: 3-hydroxyglutarate(2-)
SMILES: OC(CC([O-])=O)CC([O-])=O
Compound: 12-HETE
SMILES: [H]C(CCCC(O)=O)=CCC([H])=CC([H])=CC(O)CC([H])=CCCCCC
Compound: 2,4-dimethylphenyl hydrogen sulfate
SMILES: CC1=CC(C)=C(OS(O)(=O)=O)C=C1
Compound: 2,5-xylenol
SMILES: CC1=CC(O)=C(C)C=C1
Compound: 2,5-dimethylphenyl hydrogen sulfate
SMILES: CC1=CC(OS(O)(=O)=O)=C(C)C=C1
Compound: 2,2-dimethylsuccinate(2-)
SMILES: CC(C)(CC([O-])=O)C([O-])=O
Compound: 2,3-dimethylsuccinate(2-)
SMILES: CC(C(C)C([O-])=O)C([O-])=O
Compound: fusoxypene A
SMILES: C1C2=C(C[C@]3([C@]1([C@@H](CC3)C(C)C)[H])C)[C@@H](CC[C@@]45[C@]2([C@]5(CC[C@H]4C)[H])C)C
Compound: fusoxypene B
SMILES: C1[C@@]2([C@@](C[C@]3([C@]1([C@@H](CC3)C(C)C)[H])C)(C(CC[C@@]45[C@]2([C@]5(CC[C@H]4C)[H])C)=C)[H])[H]
Compound: fusoxypene C
SMILES: C=1C[C@]2([C@]([C@@H](CC2)C(C)C)([H])CC=C([C@]3(C(=CCC1C)[C@@H](CC3)C)[H])C)C
Compound: (-)-astellatene
SMILES: C1[C@@]23[C@@](C[C@]4([C@]1([C@@H](CC4)C(C)C)[H])C)([C@@H](CC[C@@]5([C@@]2(CC[C@H]5C)[H])C3=C)C)[H]
Compound: preaspterpenacid acid I
SMILES: C1[C@]2([C@](C[C@@]3([C@@]1([C@H](CC3)C(C)C)[H])C)([C@H](CC[C@]45[C@@]2([C@@]5(CC[C@@H]4C)[H])C)C)[H])O
Compound: preaspterpenacid acid II
SMILES: C1[C@]2([C@](C[C@@]3([C@@]1([C@H](CC3)C(C)C)[H])C)([C@H](CC[C@]45[C@@]2([C@@]5(CC[C@@H]4C)[H])CO)C)[H])O
Compound: tetflupyrolimet
SMILES: CN1C[C@@H]([C@@H](C(=O)NC2=CC=CC=C2F)C1=O)C1=CC=CC(=C1)C(F)(F)F
Compound: fusahexin
SMILES: [C@H]1(C(N[C@H](C(N[C@H]2C(=O)N3[C@H](C(N[C@@H](C(N[C@H](C(=O)N1)CC(C)C)=O)CC(C)C)=O)CC[C@H]3O[C@@H]2C)=O)CC(C)C)=O)C
Compound: (E)-nesocodin (oxo-form) zwitterion
SMILES: C(=C/[NH+]1C(CCC1)C([O-])=O)\C=C2C=C(C(C(=C2)OC)=O)OC
Compound: (E)-nesocodin (alcohol-form) zwitterion
SMILES: C(/C=[N+]\1/C(CCC1)C([O-])=O)=C\C=2C=C(C(=C(C2)OC)O)OC
Compound: butyrolactone II
SMILES: O1[C@@](CC2=CC=C(O)C=C2)(C(=C(O)C1=O)C3=CC=C(O)C=C3)C(OC)=O
Compound: (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
SMILES: BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
Compound: butyrolactone I
SMILES: O1[C@@](CC2=CC=C(O)C(=C2)CC=C(C)C)(C(=C(O)C1=O)C3=CC=C(O)C=C3)C(OC)=O
Compound: (2R,3S)-C75
SMILES: CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
Compound: (2S,3R)-C75
SMILES: CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O
Compound: 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
SMILES: CCCCCCCCC1OC(=O)C(=C)C1C(O)=O
Compound: alpha-L-Fucp-(1->3)-{alpha-D-Manp-(1->3)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)}-D-GlcpNAc
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Compound: tauronorcholate(1-)
SMILES: C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CC(NCCS([O-])(=O)=O)=O)C)[H])C)O)[H])C
Compound: tauroallocholate(1-)
SMILES: C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS(=O)(=O)[O-])=O)C)[H])C)O)[H])C
Compound: taurohyodeoxycholate(1-)
SMILES: S([O-])(=O)(=O)CCN(C(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@@H](O)C3)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)[H]
Compound: ADP-alpha-D-ribose
SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
Compound: ADP-beta-D-ribose
SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
Compound: DDR1-IN-2
SMILES: CCN1CCN(CC2=C(C=C(C=C2)C(=O)NC2=CC=C(C)C(NCC3=C(OC)C4=C(NC=C4)N=C3)=C2)C(F)(F)F)CC1
Compound: taiwanin C
SMILES: O=C1OCC2=CC3=C(C=C4OCOC4=C3)C(=C12)C1=CC2=C(OCO2)C=C1
Compound: 2-aminoacetyl fluoride
SMILES: NCC(F)=O
Compound: PG(18:3(9Z,12Z,15Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: Gibberellin A38 glucosyl ester
SMILES: O1C[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@]([C@@H](O)CC3)(C1=O)C)[H])C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)C[C@@](O)(CC4)C(C5)=C)[H]
Compound: Isoquercetrin
SMILES: O1C([C@@H](O)[C@@H](O)[C@H](O)C1O)COC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4
Compound: 5-hydroxy-7-methoxy-3-(3-methoxyphenyl)-8-methyl-4H-chromen-4-one
SMILES: O1C2=C(C(=O)C(C3=CC(OC)=CC=C3)=C1)C(O)=CC(OC)=C2C
Compound: Glucosyl passiflorate
SMILES: OC1C23C4(C2)C(C5(C(CC4)(C(CC5)C(C6OC(O)C(O)(C6)C(C)C)C)C)C)CCC3C(C(O)C1)(C)C(OC7OC(C(O)C(O)C7O)CO)=O
Compound: Catechin 5-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3CC(O)C(OC3C=C(O)C2)C4=CC(O)=C(O)C=C4)CO
Compound: Licoricesaponin C2
SMILES: O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C(=C5[C@@](CC4)(CC[C@](C5)(C)C(O)=O)C)C=C3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[C@H]6O[C@@H]([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)=O)C(O)=O
Compound: Isorubrofusarin 10-gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(OC)=C2)C=C(O)C4=C3OC(=CC4=O)C)COC5OC(C(O)C(O)C5O)CO
Compound: Ganodermic acid Jb
SMILES: OC1C2(C(C(C1)C(CC/C=C(\C)/C(O)=O)C)(CC=C3C4(C(C(C(O)CC4)(C)C)CC=C23)C)C)C
Compound: Precarthamin
SMILES: O1C(C(O)C(O)C(O)C1OC=2C(O)=C(C(O)/C=C/C3=CC=C(O)C=C3)C(O)=CC2O)CO
Compound: A 922500
SMILES: OC(=O)[C@H]1[C@@H](CCC1)C(=O)C2=CC=C(C=C2)C3=CC=C(NC(=O)NC4=CC=CC=C4)C=C3
Compound: 6-(4-ethenyl-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C=C2)C=C)C(O)=O
Compound: Calendoflavobioside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)C
Compound: Taxifolin 3-arabinoside
SMILES: O1[C@@H](OC2C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1CO
Compound: Chinenoside VI
SMILES: O1C2C(C3(C(C4C(C5(C(C(=O)C4)CC(OC6OC(C(O)C(O)C6O)COC7OCC(O)C(O)C7O)CC5)C)CC3)C2)C)C(C18OCC(C(OC9OC(C(O)C(O)C9O)CO)C8)C)C
Compound: Curcumadiol
SMILES: OC1(C2C(CC1)C(O)(CC=C(C2)C(C)C)C)C
Compound: 16,17-Dihydro-16alpha,17-dihydroxygibberellin A7 17-glucoside
SMILES: O1[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@]([C@@H](O)C=C3)(C1=O)C)[H])C(O)=O)C[C@]([C@](O)(C5)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(CC4)[H])[H]
Compound: 12-oxo-cis-dodec-9-enoic acid
SMILES: [H]C(=O)C\C=C/CCCCCCCC(O)=O
Compound: (3S,6E,10E)-1,6,10,14-Phytatetraen-3-ol
SMILES: OC(CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)(C)C=C
Compound: Methyl-10-gingerol
SMILES: OC(CCCCCCCCC)CC(=O)CCC1=CC(OC)=C(OC)C=C1
Compound: Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC(O)=C(O)C=C5)C)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC=C(O)C=C7
Compound: Quercetin-4'-glucuronide
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=C(C=C2)C=3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)C(O)=O
Compound: Cer(d14:1(4E)/20:0(2OH))
SMILES: OC(CCCCCCCCCCCCCCCCCC)C(=O)N[C@H]([C@H](O)/C=C/CCCCCCCCC)CO
Compound: Catechin 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)CC3=C(O)C2)C4=CC(O)=C(O)C=C4)CO
Compound: Trans, trans-3,5-Octadien-2-one
SMILES: O=C(\C=C\C=C\CC)C
Compound: Catechin 3'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C(C3OC=4C(CC3O)=C(O)C=C(O)C4)C=CC2O)CO
Compound: 1,3,5-Bisabolatrien-10-one
SMILES: O=C(CCC(C1=CC=C(C=C1)C)C)C(C)C
Compound: Rubrofusarin 6-gentiobioside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(OC)=C2)C=C4OC(=CC(=O)C4=C3O)C)COC5OC(C(O)C(O)C5O)CO
Compound: 12-oxo-trans-10-dodecenoic acid
SMILES: [H]C(=O)\C=C\CCCCCCCCC(O)=O
Compound: Katonic acid
SMILES: O[C@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C
Compound: 13-Oxocryptopine
SMILES: O1C=2C=3CN(CCC=4C(C(=O)C(=O)C3C=CC2OC1)=CC(OC)=C(OC)C4)C
Compound: Kaempferol 3-[2''-(6'''-coumaroylglucosyl)-rhamnoside] 7-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)C)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC=C(O)C=C7
Compound: Calamendiol
SMILES: O[C@@]12[C@]([C@@](O)(CC[C@H]1C(C)C)C)(CCC(C2)=C)[H]
Compound: Orientin 7,3'-dimethyl ether
SMILES: O1[C@](C(O)[C@@H](O)[C@@H](O)C1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC(OC)=C(O)C=C4)[H]
Compound: 3'-(6''-Galloylglucosyl)-phloroacetophenone
SMILES: O1C(C(O)C(O)C(O)C1COC(=O)C2=CC(O)=C(O)C(O)=C2)C3=C(O)C(=C(O)C=C3O)C(=O)C
Compound: (S)-Naringenin 8-C-(2''-rhamnosylglucoside)
SMILES: O(C1C(OC(C(O)C1O)CO)C2=C3OC(CC(=O)C3=C(O)C=C2O)C4=CC=C(O)C=C4)C5OC(C(O)C(O)C5O)C
Compound: Prupaside
SMILES: O1C(C(C(C1)CC2=CC(OC)=C(O)C(OC)=C2)COC3OCC(O)C(O)C3O)C4=CC(OC)=C(O)C(OC)=C4
Compound: 6''-O-Malonylwistin
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)COC(=O)CC(O)=O
Compound: Wistin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C3C(OC=C(C3=O)C4=CC=C(OC)C=C4)=C2)CO
Compound: Petasalbin
SMILES: OC1C2(C(CCCC2C)CC=3OC=C(C13)C)C
Compound: 3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanimidic acid
SMILES: O=C(NCCC1=CC(O)=C(O)C=C1)CCC2=CC(O)=C(O)C=C2
Compound: Piperitoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC(=O)/C=C\C5=CC(O)=C(O)C=C5)C=C4)CO
Compound: Melongoside K
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)C)C6OC8OC(C(OC9OC(C(O)C(O)C9O)CO)C(O)C8O)CO)CO)CC5)C)C2)C)C(C1%10OCC(CC%10)C)C
Compound: L-cis-3-Amino-2-pyrrolidinecarboxylic acid
SMILES: OC(=O)C1NCCC1N
Compound: Pinobanksin 5-[galactosyl-(1->4)-glucoside]
SMILES: O(C1C(O)C(O)C(OC1CO)OC=2C3=C(OC(C(O)C3=O)C4=CC=CC=C4)C=C(O)C2)C5OC(C(O)C(O)C5O)CO
Compound: Sterebin G
SMILES: OC1C2C(C(C(O)(C1O)C)/C=C/C(C(O)CO)=C)(CCCC2(C)C)C
Compound: 2,10-Bisaboladiene-1,4-diol
SMILES: OC1C(C(CCC=C(C)C)C)CC(O)C(=C1)C
Compound: D-Erythroascorbic acid 1'-a-D-xylopyranoside
SMILES: O1C(OCC2OC(=O)C(O)=C2O)C(O)C(O)C(O)C1
Compound: Alpha-Methylphenethyl butyrate
SMILES: O(C(CC1=CC=CC=C1)C)C(=O)CCC
Compound: Cassiaside C
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(=CC(OC)=C2)C=C4C(=C3O)C(OC(=C4)C)=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
SMILES: O1[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@]([C@@H](O)CC3)(C1=O)C)[H])C(O)=O)C[C@]([C@](O)(C5)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(CC4)[H])[H]
Compound: Fistuloside B
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6OC8OC(C(O)C(O)C8O)C)CO)C(O)C5)C)C2)C)C(C19OCC(CC9)C)C
Compound: alpha-Cyperol
SMILES: OC1CCC2(C(CC(CC2)C(C)=C)=C1C)C
Compound: 3'-Dehydrolutein/ Philosamiaxanthin/ 3-Hydroxy-beta,epsilon-caroten-3'-one
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@@H]2C(CC(=O)C=C2C)(C)C)\C)\C)(C)C
Compound: Caryatin glucoside
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC2=C(O)C=C(C=C2)C=3OC4=C(C(=O)C3OC)C(OC)=CC(O)=C4)CO
Compound: Dipiperamide C
SMILES: O=C(N1CCCC1)[C@H]2[C@@H]([C@@H]([C@H]2/C=C/C3=CC=4OCOC4C=C3)/C=C/C5=CC=6OCOC6C=C5)C(=O)N7CCCCC7
Compound: Dehydrodiferulic dilactone
SMILES: O1C(C2C(C(OC2=O)C3=CC(OC)=C(O)C=C3)C1=O)C4=CC(OC)=C(O)C=C4
Compound: 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide
SMILES: O1C(OC2=C(OC=3C(C2=O)=C(O)C(O)=C(OC)C3)C4=CC(OC)=C(OC)C=C4)C(O)C(O)C(O)C1C(O)=O
Compound: Sudachiin A
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(O)C4OC)CO
Compound: 9-Oxoasimicinone
SMILES: O1C(C2OC(CC2)C(O)CCCCCC(=O)CCCCC3OC(=O)C(C3)CC(=O)C)CCC1C(O)CCCCCCCCCC
Compound: Maysin 3'-methyl ether
SMILES: O(C1C(OC(C(=O)C1O)C)C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)C5OC(C(O)C(O)C5O)C
Compound: Zingiberenol
SMILES: OC1(CCC(C(CCC=C(C)C)C)C=C1)C
Compound: 3-O-Sulfogalactosylceramide (d18:1/18:0)
SMILES: S(OC1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C1O)CO)(O)(=O)=O
Compound: L-N-(1H-Indol-3-ylacetyl)aspartic acid
SMILES: O=C(NC(CC(O)=O)C(O)=O)CC=1C=2C(NC1)=CC=CC2
Compound: (2E,6E,9xi)-Farnesol
SMILES: OC(C/C(=C/CC/C(/C)=C/CO)/C)C=C(C)C
Compound: LysoPE(0:0/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)CO)(OCCN)(O)=O
Compound: Isolimonic acid
SMILES: O1[C@]2([C@]3(C([C@]4(C(CC3=O)C(OC4)(C)C)C(O)CC(O)=O)CC[C@]2([C@@H](O)C=5C=COC5)C)C)[C@H]1C(O)=O
Compound: Dihydrodaidzin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OCC(C(=O)C3C=C2)C4=CC=C(O)C=C4)CO
Compound: Canesceol
SMILES: OC12C3C(C4(C(O)(CC3)CC(OC5OC(C(O)C(O)C5O)C)CC4)CO)C(O)CC1(C(CC2)C=6COC(=O)C6)C
Compound: 5'-Methoxycastavinol
SMILES: O1C([C@@]2([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@]1(OC=4C2=C(O)C=C(O)C4)C5=CC(OC)=C(O)C(OC)=C5)[H])(C)C(=O)C
Compound: Salviaflaside methyl ester
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C(C=CC2O)/C=C/C(O[C@H](CC3=CC(O)=C(O)C=C3)C(OC)=O)=O)CO
Compound: Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside]
SMILES: O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C)C5OC(C(O)C(O)C5O)CO
Compound: 3a,16a-Dihydroxyandrostenone
SMILES: O[C@@H]1C[C@]2([C@]3([C@@]([C@@]4(C(=CC3)C[C@H](O)CC4)C)(CC[C@@]2(C1=O)C)[H])[H])[H]
Compound: 4,7-Megastigmadien-9-ol
SMILES: OC(\C=C\C1C(CCC=C1C)(C)C)C
Compound: Chrysin 7-[rhamnosyl-(1->4)-glucoside]
SMILES: O(C1C(O)C(O)C(OC1CO)OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=CC=C4)C5OC(C(O)C(O)C5O)C
Compound: 4-OH-Retinal
SMILES: OC1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=O)(C)C
Compound: Ganoderic acid Mg
SMILES: OC1C2(C(C(C1)C(C(OC(=O)C)C/C=C(\C)/C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(OC)C23)C)C)C
Compound: 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene
SMILES: C1(C=2C(C(=CC2)C)(C=CC1)C)(C)C
Compound: Isopropyl beta-D-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC(C)C)CO
Compound: 2,4-hexadienyl acetate
SMILES: [H]C(C)=CC([H])=CCOC(C)=O
Compound: 3'-O-Methyl-(-)-epicatechin 7-O-glucuronide
SMILES: O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(OC)=C(O)C=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 4-Glucosyl gallate
SMILES: O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O)CO
Compound: (10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid
SMILES: OC(=O)CCCCCCCC/C=C\C#C/C=C/C=C/C
Compound: Aflatoxin Ex2B1
SMILES: O1C2OC=3C(C2CC1OC)=C4OC(=O)C5=C(C4=C(OC)C3)CCC5=O
Compound: Trans-4-Nonenal
SMILES: O=CCC\C=C\CCCC
Compound: Stigmastentriol
SMILES: OC1C2C3C(C(CC3)C(C(O)CC(C(C)C)CC)C)(CCC2C4(C(=C1)CC(O)CC4)C)C
Compound: 3-Phenylpropyl isovalerate
SMILES: O(CCCC1=CC=CC=C1)C(=O)CC(C)C
Compound: Formononetin 7-(6''-methylmalonylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)COC(=O)CC(OC)=O
Compound: Cyanidin 3-gentiobioside
SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Glucoliquiritin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C=C4)CO
Compound: Neoacrimarine G
SMILES: O1C([C@@H](O)C(OC=2C=3N(C4=C(C(=O)C3C=CC2)C(O)=CC(OC)=C4)C)C5=C1C=CC6=C5OC(=O)C=C6)(C)C
Compound: MS 3
SMILES: O(C1=C(C(O)=C(C(=C1)CO)CO)CC=C(C)C)C(=O)C=2C(=CC(O)=CC2O)C
Compound: 4-Methoxy-1-naphthol
SMILES: O(C=1C=2C(C(O)=CC1)=CC=CC2)C
Compound: Acacetin 7-[apiosyl(1->6)-glucoside]
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC5OCC(O)(C5O)CO
Compound: Petasitin
SMILES: O(C1C(C2(C(CC1)=CC(=O)C(=C2)C(O)(C)C)C)C)C(=O)/C(/C)=C/C
Compound: Citroside A
SMILES: O(C1(CC(O)CC(C1=C=CC(=O)C)(C)C)C)C2OC(C(O)C(O)C2O)CO
Compound: Pyranodelphinin A
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C(O)=C5)=CC(=[OH+])C=C4OC(=C3)C)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C
Compound: Vinaginsenoside R6
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)C6OC7OCC(O)C(O)C7O)COC8OC(C(O)C(O)C8O)CO
Compound: 2-O-Caffeoylarbutin
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C1OC3=CC=C(O)C=C3)CO
Compound: Castavinol
SMILES: O1C([C@@]2([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@]1(OC=4C2=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)[H])(C)C(=O)C
Compound: Chrysophanol 8-(6-galloylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)C)C=CC2)COC(=O)C5=CC(O)=C(O)C(O)=C5
Compound: Nb-trans-Feruloylserotonin glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC3=C(NC=C3CCNC(=O)/C=C/C4=CC(OC)=C(O)C=C4)C=C2)CO
Compound: 3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=C(OC)C3=O)C4=CC(O)=C(O)C=C4)C=C(OC)C2)CO
Compound: Verimol I
SMILES: O(C1=CC=C(C=C1)/C=C/COC(=O)C)C
Compound: Musabalbisiane C
SMILES: O1[C@@H](O)[C@]2([C@@]3([C@@]([C@]([C@H](OC(=O)/C(/C)=C/C)CC3)(CC(O)=O)CO)([C@H](O)C[C@H]2CO)CO)CO)C[C@H]1C=4C=COC4
Compound: Nigellimine N-oxide
SMILES: O(C=1C=C2C(=CC1OC)C=C[N+]([O-])=C2C)C
Compound: 6''-O-Malonyldaidzin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC(=CC(=O)C3C=C2)C4=CC=C(O)C=C4)COC(=O)CC(O)=O
Compound: Rheochrysin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(C(=O)C4=C(C3=O)C(O)=CC(=C4)C)C=C(OC)C2)CO
Compound: Ginsenoyne I
SMILES: O1[C@H]([C@H]1CC#C/C=C/C(O)C=C)CCCCCCC
Compound: 6-[(1,3-diphenylbut-3-en-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(OC(CC2=CC=CC=C2)C(C3=CC=CC=C3)=C)C(O)C(O)C(O)C1C(O)=O
Compound: Eujambolin
SMILES: O1C(C(OC(=O)C)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(OC)C(O)=C4)C
Compound: 1-alpha-Acevaltrate
SMILES: O1C2(C3C(=CC2OC(=O)CC(C)C)C(=COC3OC(=O)C(OC(=O)C)C(C)C)COC(=O)C)C1
Compound: 6-(2-carboxy-2-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(OCC(C)C(O)=O)C(O)C(O)C(O)C1C(O)=O
Compound: Phenethyl 6-galloylglucoside
SMILES: O1C(C(O)C(O)C(O)C1OCCC2=CC=CC=C2)COC(=O)C3=CC(O)=C(O)C(O)=C3
Compound: Apigenin 7-[p-coumaroyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide]
SMILES: O(C1C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC3C(O)C(O)C(OC3OC=4C=C5OC(=CC(=O)C5=C(O)C4)C6=CC=C(O)C=C6)C(O)=O)OC(C1O)C(O)=O)C7OC(C(O)C(O)C7O)C(O)=O
Compound: L-4-Hydroxyglutamine
SMILES: OC(CC(N)C(O)=O)C(=O)N
Compound: 3-[(3-Methylbutyl)nitrosoamino]-2-butanone
SMILES: O=C(C(N(N=O)CCC(C)C)C)C
Compound: Natsudaidain 3-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(OC)=C(OC)C(OC)=C3OC)C4=CC(OC)=C(OC)C=C4)CO
Compound: 3-Methylellagic acid 8-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=3OC(=O)C=4C=5C3C(=CC2O)C(OC5C(OC)=C(O)C4)=O)C
Compound: N-trans-Feruloyloctopamine
SMILES: OC(CNC(=O)/C=C/C1=CC(OC)=C(O)C=C1)C2=CC=C(O)C=C2
Compound: Galactosyl 4-hydroxyproline
SMILES: O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)[C@H]2NC[C@H](O)C2)CO
Compound: Trigoforin
SMILES: O1C2=C(C(=C(C1=O)C)C)C=CC(=C2)C
Compound: Phyllanthusol B
SMILES: O1C2C(O)(C(O)C13OCC(C(OC(=O)C4=CC=CC=C4)C3)C)C(O)CC(C2)C(OC5C(OC6OC(C(O)C(O)C6NC(=O)C)CO)C(O)C(O)C(O)C5)=O
Compound: Torachrysone 8-(6-oxalylglucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC2=C3C(=CC(OC)=C2)C=C(C(=C3O)C(=O)C)C)COC(=O)C(O)=O
Compound: Allyl cinnamate
SMILES: O(CC=C)C(=O)\C=C\C1=CC=CC=C1
Compound: Beta1-Tomatidine
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(OC7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8O)CO)CO)C(O)C6O)CO)CC5)C)CC3)C2)C)C(C19NCC(CC9)C)C
Compound: beta-Kessyl alcohol
SMILES: O1[C@]2([C@@]3([C@](C[C@@]1(CC2)C(C)C)([C@@H](C[C@H]3O)C)[H])[H])C
Compound: Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside
SMILES: O(C1C(C2(C(C3C(C4(C(=CC3)CC(O)CC4OC5OC(C(OC6OC(C(O)C(O)C6O)CO)C(O)C5O)C)C)CC2)C1)C)C(C(O)CCC(C)C)C)C7OC(C(O)C(O)C7O)CO
Compound: Furfuryl acetate
SMILES: O1C(COC(=O)C)=CC=C1
Compound: Isofucosterol 3-O-[6-O-(9,12-Octadecadienoyl)-b-D-glucopyranoside]
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CC/C(/C(C)C)=C\C)C)(CC3)C)CC2)(CC1)C)C5OC(C(O)C(O)C5O)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Compound: Lucidenic acid F
SMILES: O=C1[C@@]2([C@@]([C@](C1)([C@@H](CCC(O)=O)C)[H])(CC(=O)C=3[C@@]4([C@](C(C(=O)CC4)(C)C)(CC(=O)C23)[H])C)C)C
Compound: 3-Methylbutyl phenylacetate
SMILES: O(CCC(C)C)C(=O)CC1=CC=CC=C1
Compound: Marmesin rutinoside
SMILES: O(C(C1OC2=C(C1)C=C3C(OC(=O)C=C3)=C2)(C)C)C4OC(C(O)C(O)C4O)COC5OC(C(O)C(O)C5O)C
Compound: PS(15:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=3OC(C(O)C(=O)C3C=C2)C4=CC(O)=C(O)C=C4)C
Compound: Pregeijerene
SMILES: C1CC(=CC=CCCC(=C1)C)C
Compound: 6-(acetyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC(=O)C)C(O)=O
Compound: (3S,6E)-6-Caryophyllen-15-al
SMILES: O=CC1C2C(C(C2)(C)C)CCC(=CCC1)C
Compound: Salvianolic acid G
SMILES: O1C=2C3=C(CC(C(=O)C3=CC4=C1C(O)=C(O)C=C4)C(O)=O)C=CC2O
Compound: (+/-)-Menthyl acetate
SMILES: O(C1C(CCC(C1)C)C(C)C)C(=O)C
Compound: Alkaloid RC
SMILES: O1C2C(N(CCC=3C2=CC=4OCOC4C3)C)C5=C(C1OC6OC(C(O)C(O)C6O)CO)C=7OCOC7C=C5
Compound: Menthoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC(=O)/C=C/C5=CC(O)=C(O)C=C5)C=C4)COC6OC(C(O)C(O)C6O)C
Compound: 7-Oxostigmasterol
SMILES: O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@H](C)/C=C/[C@H](C(C)C)CC)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H])[H]
Compound: 5-O-Galloylhamamelofuranose
SMILES: O1C(C(O)C(O)(C1O)CO)COC(=O)C2=CC(O)=C(O)C(O)=C2
Compound: 4'-Methyl-(-)-epigallocatechin 3'-glucuronide
SMILES: O1[C@@H](OC2=CC([C@H]3OC=4C(C[C@H]3O)=C(O)C=C(O)C4)=CC(O)=C2OC)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Myricetin 7-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C(O)=C4)C
Compound: Cyanidin 3-(6''-(E)-p-coumarylsambubioside) 5-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6)C7OCC(O)C(O)C7O
Compound: 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)
SMILES: O1C(C(O)C(O)C(O)C1OC(CC2=CC(OC)=C(O)C=C2)CO)COC(=O)C3=CC(O)=C(O)C(O)=C3
Compound: 2'-(E)-Feruloyl-3-(arabinosylxylose)
SMILES: O(C1OC(C(O)C1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)CO)C3C(O)C(OCC3O)O
Compound: P-Coumaroyl vitisin A
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: Isothankunic acid
SMILES: OC12C(C3C(C4(C(C5C(CC4)(CCC(C5C)C)C(O)=O)=CC3)C)(CC1O)C)(CCC(O)C2(CO)C)C
Compound: (8S,8'S)-Secoisolariciresinol 9-xyloside
SMILES: O(CC(C(CC1=CC(OC)=C(O)C=C1)CO)CC2=CC(OC)=C(O)C=C2)C3OCC(O)C(O)C3O
Compound: Heptyl cinnamate
SMILES: O(CCCCCCC)C(=O)/C=C/C1=CC=CC=C1
Compound: Assamsaponin J
SMILES: O([C@H]1[C@@]2([C@](C=3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H]([C@H](O)[C@@H](O)[C@H]8O)C)[C@H]6O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)C(O)=O)CC5)(C)C)[H])C)(CC3)[H])C)(C1)C)(CC([C@@H](OC(=O)C)[C@@H]2OC(=O)/C=C/C%10=CC=CC=C%10)(C)C)[H])CO)C(=O)C
Compound: Furanoeremophilane
SMILES: O1C=2CC3C(C(CCC3)C)(CC2C(=C1)C)C
Compound: 7-Hydroxy-3,3',4',5,6,8-hexamethoxyflavone
SMILES: O1C2=C(C(OC)=C(OC)C(O)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3
Compound: Apimaysin
SMILES: O(C1C(OC(C(=O)C1O)C)C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)C5OC(C(O)C(O)C5O)C
Compound: Hexyl phenylacetate
SMILES: O(CCCCCC)C(=O)CC1=CC=CC=C1
Compound: (7'R)-(+)-Lyoniresinol 9'-glucoside
SMILES: O(CC1C(CC=2C(C1C3=CC(OC)=C(O)C(OC)=C3)=C(OC)C(O)=C(OC)C2)CO)C4OC(C(O)C(O)C4O)CO
Compound: Somniferine
SMILES: O1[C@@]2([C@]34[C@](O)([C@](N(CC3)C)(CC5=C4C1=C(O)C=C5)[H])C=C([C@H]6N([C@]7(C=8[C@]9(C6)[C@@](OC=%10C9=C(C7)C=CC%10OC)(C(OC)=CC8)[H])[H])C)C2=O)[H]
Compound: Natsudaidain
SMILES: O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C(O)=C1C3=CC(OC)=C(OC)C=C3
Compound: Cubebininolide
SMILES: O1CC(C(CC2=CC(OC)=C(OC)C(OC)=C2)C1=O)CC3=CC(OC)=C(OC)C(OC)=C3
Compound: 7-Oxociguatoxin
SMILES: O1C2C(OC3(OCC(O)C3)C(C2C)C)C(O)C(C4OC5C(OC6C(OC7(C(OC8C(OC9C(OC%10C(OC%11CC%12OC%13C(OC(CC(=O)C%13)/C=C\C(O)CO)C(O)C%12OC%11C=C%10)C=C9)CC=CC8)CC7O)C6)C)CC(C5)C)CC14)C
Compound: 4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(OC)C(O)=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(OC)C(O)=C4
Compound: Aquifoliunine EII
SMILES: O1C23C4(C(OC(=O)C)C(O)C(C2OC(=O)C)C1(COC(=O)C5=C(N=CC=C5)C(C(C(OC(C3(O)C)C(O)C4OC(=O)C)=O)C)C)C)COC(=O)C
Compound: 6-Glucopyranosylprocyanidin B2
SMILES: O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C2=C(O)C=3[C@@]([C@@H](O)[C@H](OC3C=C2O)C4=CC(O)=C(O)C=C4)(C=5C=6O[C@@H]([C@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)[H]
Compound: threo-Syringoylglycerol
SMILES: OC(C(O)CO)C1=CC(OC)=C(O)C(OC)=C1
Compound: 5-Pentyl-2-furanheptanoic acid
SMILES: O1C(CCCCCCC(O)=O)=CC=C1CCCCC
Compound: [8]-Dehydroshogaol
SMILES: O=C(\C=C\CCCCCCC)/C=C/C1=CC(OC)=C(O)C=C1
Compound: 1-(4-methoxyphenyl)pentan-3-ol
SMILES: OC(CCC1=CC=C(OC)C=C1)CC
Compound: Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)
SMILES: O1C(=O)C2C(C(C2C(OCC3(OC(C1C3O)CO)OC4OC(C(O)C(O)C4O)CO)=O)C5=CC(OC)=C(O)C=C5)C6=CC(OC)=C(O)C=C6
Compound: 4-Demethylsimmondsin 2'-(E)-ferulate
SMILES: O(C/1CC(O)C(OC)C(O)\C1=C/C#N)C2OC(C(O)C(O)C2OC(=O)/C=C/C3=CC(OC)=C(O)C=C3)CO
Compound: Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide]
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(OC7OC(C(OC8OC(C(O)C(O)C8O)C)C(O)C7O)CO)C(O)C6O)C(O)=O
Compound: 1,6,9-Farnesatriene-3,11-diol
SMILES: OC(CC/C=C(\C/C=C/C(O)(C)C)/C)(C)C=C
Compound: Chrysophanein
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(C=C(C2)C)C(=O)C4=C(C3=O)C(O)=CC=C4)CO
Compound: Beta-Ionol
SMILES: OC(\C=C\C=1C(CCCC1C)(C)C)C
Compound: 2-Benzylidene-1-heptanol
SMILES: OC\C(\CCCCC)=C\C1=CC=CC=C1
Compound: Cystophorene
SMILES: C(CC/C=C\C=C\C=C)CC
Compound: (+)-Lyoniresinol 9-glucoside
SMILES: O(CC1C(C(C=2C(C1)=CC(OC)=C(O)C2OC)C3=CC(OC)=C(O)C(OC)=C3)CO)C4OC(C(O)C(O)C4O)CO
Compound: Graecunin G
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8O)CO)C)CC5)C)C2)C)C(C19OCC(CC9)C)C
Compound: Momordenol
SMILES: O=C1C(C2(C(C3C(C4(C(=CC3)CC(O)CC4)C)CC2)=C1)C)C(CCC(C(C)C)CC)C
Compound: [6]-Gingerdiol 5-O-beta-D-glucopyranoside
SMILES: O1C(OC(CC(O)CCC2=CC(OC)=C(O)C=C2)CCCCC)C(O)C(O)C(O)C1CO
Compound: Tuberoside E
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H](O)[C@H]6O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO)[C@H](O)C5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]19OC[C@H](CC9)C)C)[H])[H]
Compound: (S)-Pterosin P
SMILES: O=C1C(CC=2C1=C(C(=C(C2)CO)CCO)C)C
Compound: Cyanidin 3-(malonylsophoroside) 5-glucoside
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC=2C=C3C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)CC(O)=O)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO
Compound: Quinquenoside III
SMILES: OC1C2C(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)COC(=O)C)CC4)(C)C)C)C1)C)(CCC2C(OC7OC(C(O)C(O)C7O)CO)(CCC=C(C)C)C)C
Compound: Cafamarine
SMILES: OC1(C2CC3(C(C4(C(CC3)C5=C(OC=C5)C(=O)C4)CO)CC2)C1)COC6OC(C(O)C(O)C6O)CO
Compound: Epicatechin-(4beta->8)-gallocatechin
SMILES: O1C(C(O)C(C=2C=3OC(C(O)CC3C(O)=CC2O)C4=CC(O)=C(O)C(O)=C4)C=5C1=CC(O)=CC5O)C6=CC(O)=C(O)C=C6
Compound: (3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside
SMILES: OC1C(C2(C(C3C(C4C(=CC3)C(C(OC5OC(C(O)C(O)C5O)CO)CC4)(C)C)(C(=O)C2)C)(C1)C)C)C(O)(C(O)CCC(OC(=O)C)(C)C)C
Compound: 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)=C(O)C(OC)=C(OC)C2OC
Compound: Irilone 4'-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC=5OCOC5C4O)CO
Compound: PE-NMe(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: Methyl [8]-Shogaol
SMILES: O=C(CCC1=CC(OC)=C(OC)C=C1)\C=C\CCCCCCC
Compound: 3-Mercapto-3-methylbutyl formate
SMILES: SC(CCOC=O)(C)C
Compound: PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)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)COP(O)(O)=O)(O)=O
Compound: Pterosin N
SMILES: OC1(CC2=C(C1=O)C(=C(C(=C2)C)CCO)C)C
Compound: (-)-Epicatechin 6-C-glucoside
SMILES: O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C2=C(O)C=3C[C@@H](O)[C@H](OC3C=C2O)C4=CC(O)=C(O)C=C4
Compound: FAHFA(16:1(9Z)/5-O-16:0)
SMILES: O(C(CCCCCCCCCCC)CCCC(O)=O)C(=O)CCCCCCC/C=C\CCCCCC
Compound: Epigallocatechin 3-O-(4-hydroxybenzoate)
SMILES: O1[C@@H]([C@H](OC(=O)C2=CC=C(O)C=C2)CC=3C1=CC(O)=CC3O)C4=CC(O)=C(O)C(O)=C4
Compound: Tomenin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(OC(=O)C=C3)=CC(OC)=C2OC)CO
Compound: PA(10:0/8:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCCCC)(O)(O)=O
Compound: (R)-Pterosin B
SMILES: O=C1C(CC2=C1C(=C(C(=C2)C)CCO)C)C
Compound: 2-Amino-3,4-dihydroxypentanedioic acid
SMILES: OC(C(N)C(O)=O)C(O)C(O)=O
Compound: Crispanone
SMILES: O[C@]12[C@](C(=O)C[C@@H]1C(C)C)([C@H](OC(=O)/C(/C)=C\C)C=C(CC2)C)C
Compound: Polypodosaponin
SMILES: O1C([C@H]([C@@]2([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[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CO)CC5)(C(=O)C4)[H])C)(CC3)[H])(CC2)[H])C)[H])C)CCC(C1O)C
Compound: 4'-Methyl-(-)-epigallocatechin 7-glucuronide
SMILES: O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(O)=C(OC)C(O)=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin
SMILES: S(=O)(CC(NCC1(OCC(O)C(O)C1O)O)C(O)=O)CC=C
Compound: Ginsenoside III
SMILES: OC1C2C(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)CC4)(C)C)C)C1)C)(CCC2C(OC7OC(C(O)C(O)C7O)CO)(CCC(=O)C(C)=C)C)C
Compound: Leptosin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=3O/C(/C(=O)C3C=C2)=C\C4=CC(O)=C(O)C=C4)CO
Compound: Heterotropan
SMILES: O(C=1C(C2C(C(C2C)C)C=3C(OC)=CC(OC)=C(OC)C3)=CC(OC)=C(OC)C1)C
Compound: Glucoconvallasaponin B
SMILES: O1C2C(C3(C(C4C(C5(C(OC6OCC(O)C(O)C6O)(CC4)C(O)C(OC7OC(C(O)C(O)C7O)CO)CC5O)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: Aquifoliunine EIII
SMILES: O1C23C4(C(OC(=O)C)C(O)C(C2OC(=O)C)C1(COC(=O)C5=C(N=CC=C5)C(C(C(OC(C3(O)C)C(OC(=O)C)C4OC(=O)C)=O)C)C)C)COC(=O)C
Compound: 6-Angeloylfuranofukinol
SMILES: O(C1C2(C(CCC(O)C2C)CC=3OC=C(C13)C)C)C(=O)/C(/C)=C/C
Compound: 5-Pentyl-2-furanoctanoic acid
SMILES: O1C(CCCCCCCC(O)=O)=CC=C1CCCCC
Compound: 2-O-Galloylsucrose
SMILES: O1C(OC2OC(C(O)C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3)CO)(C(O)C(O)C1CO)CO
Compound: Isopropyl cinnamate
SMILES: O(C(C)C)C(=O)\C=C\C1=CC=CC=C1
Compound: 3-Methyl-5-pentyl-2-furanpentanoic acid
SMILES: O1C(CCCCC(O)=O)=C(C=C1CCCCC)C
Compound: Kenposide B
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H]1OCC(CC=C(C)C)C(C)=C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O
Compound: Liquiritin apioside
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=CC=C([C@H]3OC4=C(C(=O)C3)C=CC(O)=C4)C=C2)CO)[C@@H]5OC[C@@](O)([C@H]5O)CO
Compound: Goshonoside F7
SMILES: O(C1C(C2C(C(C(CC2)=C)CC/C(/C)=C\COC3OC(C(O)C(O)C3O)CO)(CC1)C)(C)C)C4OC(C(O)C(O)C4O)CO
Compound: Luteone 7-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(C(O)=C3C(OC=C(C3=O)C4=C(O)C=C(O)C=C4)=C2)CC=C(C)C)CO
Compound: Homoagmatine
SMILES: NCCCCCN=C(N)N
Compound: Annopentocin A
SMILES: O1[C@@](CC[C@H]1C[C@H](O)CCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)([C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC)[H]
Compound: Neoliquiritin 2''-apioside
SMILES: O(C1C(O)C(O)C(OC1OC2=CC=3OC(CC(=O)C3C=C2)C4=CC=C(O)C=C4)CO)C5OCC(O)(C5O)CO
Compound: Yuccoside C
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](CC4)(C[C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)CO)[C@H](O)[C@H]6O)CO)CC5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]19OC[C@H](CC9)C)C)[H])[H]
Compound: Niazirin
SMILES: O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)CC#N)C
Compound: 5'-Hydroxycastavinol
SMILES: O1C(C2C(OC3OC(C(O)C(O)C3O)CO)C1(OC=4C2=C(O)C=C(O)C4)C=5C=C(OC)C(O)=C(O)C5)(C)C(=O)C
Compound: Chaetoglobosin N
SMILES: O1C2(C1C3C4(C(C2C)C(NC4=O)C(C=5C=6C(NC5)=CC=CC6)C)C(=O)CCC(=O)C(=O)C(=CC(CC=C3)C)C)C
Compound: Furanojaponin
SMILES: O([C@H]1C[C@]2([C@@]([C@H](C1)C)(CC3=C(OC=C3C)C2)C)[H])C(=O)/C(/C)=C\C
Compound: N-Acetylglucosamine 6-phosphate
SMILES: P(OC[C@H]1O[C@H](O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O)(O)(O)=O
Compound: Isovitexin 4',7-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(OC6OC(C(O)C(O)C6O)CO)C=C5
Compound: Oleragenoside
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)(CC1O)C)(C)C=O)C7OC(C(O)C(O)C7O)C(O)=O
Compound: Lucenin 2,7-O-rhamnoside
SMILES: O1C(C(O)C(O)C(O)C1CO)C=2C(OC3OC(C(O)C(O)C3O)C)=C(C4OC(C(O)C(O)C4O)CO)C(O)=C5C2OC(=CC5=O)C6=CC(O)=C(O)C=C6
Compound: Momilactone C
SMILES: O1[C@]2([C@@]3([C@@]([C@]4(C(=C2)C[C@](CC4)(C)C=C)[H])(C[C@H](O)C[C@@]3(C1=O)C)C)[H])[H]
Compound: Gliadorphin
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)CCC(=O)N)[C@@H](NC(=O)[C@H]4N(CCC4)C(=O)[C@@H](N)CC5=CC=C(O)C=C5)CCC(=O)N
Compound: Tetrahydroharmol
SMILES: OC1=CC=2NC=3C(NCCC3C2C=C1)C
Compound: Ginsenoyne H
SMILES: O1C(C1CC#CC#CC(OC(=O)C)CC)CCCCCC=C
Compound: 2'-Hydroxyisoorientin
SMILES: O1C(C(O)C(O)C(O)C1CO)C2=C(O)C3=C(OC(=CC3=O)C=4C(O)=CC(O)=C(O)C4)C=C2O
Compound: PIP(16:1(9Z)/16:1(9Z))
SMILES: P(O[C@@H]1C(O)[C@H](OP(O)(O)=O)C(O)C(O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O
Compound: Isoamyl cinnamate
SMILES: O(CCC(C)C)C(=O)/C=C/C1=CC=CC=C1
Compound: Isoswertiajaponin
SMILES: O1[C@](C(O)[C@@H](O)[C@@H](O)C1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2OC)C4=CC(O)=C(O)C=C4)[H]
Compound: Gibberellin A37 glucosyl ester
SMILES: O1C[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@]([C@@H](O)CC3)(C1=O)C)[H])C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)C[C@@](CC4)(C(C5)=C)[H])[H]
Compound: Austalide B
SMILES: O1[C@]23[C@@]([C@@]4([C@@](OC5=C(C4)C(OC)=C6C(=C5C)COC6=O)(C[C@H]2O)C)[H])(CC[C@@]1(OC3(C)C)OC)C
Compound: 9-(Methylthio)nonanenitrile
SMILES: S(CCCCCCCCC#N)C
Compound: 2,6,10-Trimethyldodecanoic acid
SMILES: OC(=O)C(CCCC(CCCC(CC)C)C)C
Compound: 6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2)C(O)=O)C(O)=O
Compound: 1,2-Disinapoylgentiobiose
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)C1OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
Compound: (+)-Ligballinol
SMILES: O1C(C2C(C(OC2)C3=CC=C(O)C=C3)C1)C4=CC=C(O)C=C4
Compound: Mesembryanthin
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[C@H]5OC(=O)/C=C/C7=CC(OC)=C(O)C=C7
Compound: Assamsaponin F
SMILES: O([C@H]1[C@@]2([C@](C=3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)([C@]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)[C@H]6O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)C(O)=O)CC5)(C)C=O)[H])C)(CC3)[H])C)(C1)C)(CC([C@@H](OC(=O)/C(/C)=C\C)[C@@H]2OC(=O)C)(C)C)[H])CO)C(=O)C
Compound: Quercetin 3,7,4'-O-triglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC(O)=C(OC6OC(C(O)C(O)C6O)CO)C=C5)CO
Compound: Avenanthramide A2
SMILES: O(C=1C=C(NC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C(=CC1O)C(O)O)C
Compound: Mabiogenin 3-[rhamnosyl-(1->6)-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)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CC4)(C)C)C)CC[C@@]2([C@]7([C@@]1([C@H](OC7=O)CC=C(C)C)C)[H])[H])C)C
Compound: Betavulgarin xyloside
SMILES: O1C(OC=2C(C=3C(=O)C=4C(OC3)=CC=5OCOC5C4OC)=CC=CC2)C(O)C(O)C(O)C1
Compound: Catechin 3',4'-diglucoside
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC3OC(C(O)C(O)C3O)CO)C=CC(C4OC=5C(CC4O)=C(O)C=C(O)C5)=C2)CO
Compound: PS(14:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
SMILES: O=C(NNC1=CC=C(C=C1)C(O)=O)CCC(N)C(O)=O
Compound: Quinceoxepine
SMILES: O1C(CC(=CCC1)C)/C=C\C(C)=C