MonarchInit/C3PO huggingface dataset:
Compound: PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PG(O-16:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-18:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-20:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(19:1(9Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC)(O)(O)=O
Compound: PA(20:1(11Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: PA(21:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(22:1(11Z)/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(O)(O)=O
Compound: PA(22:0/19:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PA(21:0/22:4(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)CCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: TG(14:1(9Z)/14:1(9Z)/17:2(9Z,12Z))[iso3]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(12:0/15:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(12:0/15:1(9Z)/18:3(6Z,9Z,12Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(12:0/15:0/18:4(6Z,9Z,12Z,15Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(12:0/13:0/20:4(5Z,8Z,11Z,14Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(13:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(13:0/14:1(9Z)/18:3(6Z,9Z,12Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(13:0/14:0/18:4(6Z,9Z,12Z,15Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PS(O-18:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-20:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-20:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-20:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-18:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-16:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(P-16:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(P-18:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(P-20:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(P-16:0/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Mannosyl-1beta-phosphomycoketide C34
SMILES: P(O[C@@H]1OC([C@@H](O)[C@H](O)C1O)CO)(OCCC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCCCCCCCC)C)C)C)C)C)(O)=O
Compound: PS(16:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(21:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(22:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(19:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(17:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(17:0/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(21:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(22:0/13:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(16:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(19:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(18:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(20:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(14:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(15:0/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(13:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PS(O-16:0/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-methyladenosine
SMILES: Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Compound: PS(O-18:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(O-20:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PG(P-20:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-16:0/19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-18:0/17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside]
SMILES: O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)COC7OC(C(O)C(O)C7O)CO)C=C4
Compound: TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso6]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O([C@@H](COC(=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)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6]
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[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\C/C=C\CC
Compound: TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[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\CCCCC
Compound: TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
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)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
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)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)C[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
Compound: TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C[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\C/C=C\CCCCC
Compound: TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3]
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[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\CCCCC
Compound: TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)[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\CCCCCCCC
Compound: TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:3(9Z,12Z,15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/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
Compound: TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:4(6Z,9Z,12Z,15Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:4(6Z,9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O([C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:2(9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:3(6Z,9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/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
Compound: TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[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\C/C=C\C/C=C\CC
Compound: TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[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
Compound: TG(14:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[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)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(15:1(9Z)/15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCC
Compound: TG(12:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso3]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\C/C=C\CCCC
Compound: TG(15:1(9Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\C/C=C\CCCC
Compound: PG(P-20:0/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(O-20:0/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: TG(12:0/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(12:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)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\CCCCC
Compound: TG(12:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/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: TG(12:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(12:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/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
Compound: TG(13:0/17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCCCCCCC)C[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
Compound: PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: TG(17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCC)C[C@@H](OC(=O)CCCCC/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\C/C=C\CC
Compound: TG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCC)C[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\C/C=C\CC
Compound: NAPE(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O
Compound: 8-undecenoic acid
SMILES: [H]C(CC)=CCCCCCCC(O)=O
Compound: 16-hydroxyprednisolone
SMILES: [H][C@@]12CC(O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: pre-pseudomonine
SMILES: C[C@H]1OC(=N[C@@H]1C(=O)N(O)CCC1=CNC=N1)C1=C(O)C=CC=C1
Compound: globisporamic acid
SMILES: CC1=CC=CC=C1\C=C\CCCCCCCCCCC(O)=O
Compound: (E)-5-(2-methylphenyl)-4-pentenoic acid
SMILES: CC1=CC=CC=C1\C=C\CCC(O)=O
Compound: N-hydroxyhistamine
SMILES: ONCCC1=CNC=N1
Compound: N-palmitoyl-L-alaninate
SMILES: O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCC
Compound: atogepant
SMILES: [H][C@]1(C[C@H](NC(=O)C2=CC3=C(C[C@]4(C3)C(=O)NC3=C4C=CC=N3)N=C2)C(=O)N(CC(F)(F)F)[C@@H]1C)C1=C(F)C=CC(F)=C1F
Compound: N-stearoyl-L-alaninate
SMILES: O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCCCC
Compound: N-oleoyl-L-alaninate
SMILES: O=C(N[C@@H](C)C([O-])=O)CCCCCCC/C=C\CCCCCCCC
Compound: N-linoleoyl-L-alaninate
SMILES: O=C(N[C@@H](C)C([O-])=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: N-oleoyl-gamma-aminobutyrate
SMILES: O=C(NCCCC([O-])=O)CCCCCCC/C=C\CCCCCCCC
Compound: N-linoleoyl-gamma-aminobutyrate
SMILES: O=C(NCCCC([O-])=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: N-palmitoyl-L-leucinate
SMILES: O=C(N[C@@H](CC(C)C)C([O-])=O)CCCCCCCCCCCCCCC
Compound: N-stearoyl-L-leucinate
SMILES: O=C(N[C@@H](CC(C)C)C([O-])=O)CCCCCCCCCCCCCCCCC
Compound: atractyligenin
SMILES: [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@H](O)C[C@H]2C(O)=O)C(=C)[C@@H]4O
Compound: atractyligenin 2-glucuronide
SMILES: [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@@H](C[C@H]2C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=C)[C@@H]4O
Compound: 8-undecenoate
SMILES: [H]C(CC)=CCCCCCCC([O-])=O
Compound: (R)-(+)-8-Hydroxy-DPAT hydrobromide
SMILES: Br.OC=1C2=C(CC[C@@H](N(CCC)CCC)C2)C=CC1
Compound: Tetraglucoside
SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Compound: Isoaurmillone
SMILES: O1C2=C(C(=O)C(C3=CC=C(OCC=C(C)C)C=C3)=C1)C(O)=C(OC)C(O)=C2
Compound: 17-epi-17-A4-NeuroP
SMILES: O=C1[C@@H]([C@@H](C=C1)/C=C/[C@H](O)C/C=C\CC)C/C=C\C/C=C\CCC(O)=O
Compound: Kaempferol 3-glucosyl-(1->6)-galactoside
SMILES: O1C([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)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: 20-epi-20-A4-NeuroP
SMILES: O=C1[C@@H]([C@@H](C=C1)/C=C/[C@H](O)CC)C/C=C\C/C=C\C/C=C\CCC(O)=O
Compound: Longifolenaldehyde
SMILES: O=CC1C2(C3C(C1CC3)C(CCC2)(C)C)C
Compound: Vitexin 6''-O-glucoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H])CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: PI-Cer(d20:0/26:0)
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCC)(O)=O
Compound: 2''-O-Feruloylorientin
SMILES: O1[C@](C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C=3C=4OC(=CC(=O)C4C(O)=CC3O)C5=CC(O)=C(O)C=C5)[H]
Compound: Prosapogenin A
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@@]5(C(=CC4)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)[H])[H])(C2)[H])C)([C@@H]([C@]18OC[C@@H](CC8)C)C)[H])[H]
Compound: 8-Hydroxy-delta-9-THC
SMILES: O1C(C2C(C=3C1=CC(=CC3O)CCCCC)C=C(C(O)C2)C)(C)C
Compound: Okanin 4'-gentiobioside
SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO
Compound: 4-hydroperoxycyclophosphamide
SMILES: OOC1CCOP(=O)(N1)N(CCCl)CCCl
Compound: 13-epi-13-A4-NeuroP
SMILES: O=C1[C@@H]([C@H](CC)C=C1)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O
Compound: SOTS-1
SMILES: O(/N=N/OCC1=CC=C(C=C1)C(O)=O)CC2=CC=C(C=C2)C(O)=O
Compound: 16-E1t-PhytoP
SMILES: O[C@H]1[C@@H]([C@H](CCCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CC
Compound: Kaempferol 4'-methyl ether 3-neohesperidoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC)C=C4)CO)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: Schidigerasaponin D5
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: (-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione
SMILES: O[C@@]12[C@]3([C@@](CC(=C[C@]1(C(C(=O)C[C@H]2C)=C(C)C)[H])COC(=O)C)(C(=O)C(=C3)C)[H])[H]
Compound: Quercetin 3-xylosyl-(1->2)-rhamnoside
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C)[C@@H]5OC[C@@H](O)C(O)[C@H]5O
Compound: 1-Hydroxyprevitamin D3 diacetate
SMILES: O([C@@H]1CC(/C=C\C=2[C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CCC2)C)[H])=C([C@@H](OC(=O)C)C1)C)C(=O)C
Compound: Phaseolus epsilon
SMILES: O1[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@]([C@@H](O)[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C3)(C1=O)C)[H])C(O)=O)C[C@@](O)(CC4)C(C5)=C)[H]
Compound: Apigenin 7-neohesperidoside
SMILES: O(C1[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)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: Isorhamnetin 3-O-[a-L-rhamnopyranosyl-(1->3)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside]
SMILES: O(C1C(O)C(OC(C1O)C)OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C6OC(C(O)C(O)C6O)C
Compound: Quillaic acid 3-[xylosyl-(1->3)-[galactosyl-(1->2)]-glucuronide]
SMILES: O(C1C(C2C(C3C(C4(C(C5C(C(O)C4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C=O)C6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC8OC(C(O)C(O)C8O)CO)C(O)=O
Compound: Delphinidin 3-[6-(2-acetylrhamnosyl)glucoside]
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5OC(=O)C)C
Compound: Serratin
SMILES: O1C=2C(C(C3=CC=CC=C3)=CC1=O)=C(O)C=C(O)C2
Compound: 7,12-Dioxochol-5-en-24-oic Acid
SMILES: O=C1[C@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3=O)CCCC4)C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: 16-phenoxy tetranor Prostaglandin E2
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)COC2=CC=CC=C2
Compound: CAY10616
SMILES: O(C1=CC(C=CC2=CC(O)=C(OC)C=C2)=CC(OC)=C1)C
Compound: Evasterioside D
SMILES: O[C@]12[C@]3([C@@]([C@](C[C@H]3O)([C@@H](CC[C@H](O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)C(C)C)C)[H])(CC[C@@]1([C@@]5([C@@]([C@@H](O)C2)(C[C@@H](O)CC5)[H])C)[H])C)[H]
Compound: Spinasaponin B
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)C(O)=O
Compound: O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]thiocarbamate
SMILES: S=C(OC)NCC1=CC=C(O[C@@H]2O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C)C=C1
Compound: 4-epi-4-A4-NeuroP
SMILES: O=C1[C@@H]([C@H](C/C=C\C/C=C\C/C=C\CC)C=C1)/C=C/[C@H](O)CCC(O)=O
Compound: CAY10429
SMILES: OC=1C([C@]2([C@@H](CCC(=C2)C)C(C)=C)[H])=C(CCCCC)C=C(O)C1
Compound: HU-331
SMILES: OC1=C([C@]2([C@@H](CCC(=C2)C)C(C)=C)[H])C(=O)C=C(C1=O)CCCCC
Compound: Schidigerasaponin F2
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)C(O)C5)C)CC3)C2)C)C(C18OCC(CC8)C)C
Compound: Luteoayamenin
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=CC2OC)[H])CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: Biochanin A 7-O-rutinoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: 16-phenoxy tetranor Prostaglandin A2
SMILES: O=C1[C@@H]([C@H](C=C1)/C=C/[C@@H](O)COC2=CC=CC=C2)C/C=C\CCCC(O)=O
Compound: Echioidinin 2'-(6''-acetylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C=3OC=4C(C(=O)C3)=C(O)C=C(OC)C4)=CC=CC2)COC(=O)C
Compound: N(2)-methylguanosine
SMILES: CNc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: PPOH
SMILES: O(C=1C(CCCCCC(O)=O)=CC=CC1)CC#C
Compound: Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
SMILES: O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Compound: Luteolin 3'-methyl ether 7-malonylglucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)=O
Compound: Koparin
SMILES: O1C2=C(C(=O)C(C3=C(O)C(O)=C(OC)C=C3)=C1)C=CC(O)=C2
Compound: PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/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](N)C(O)=O)(O)=O
Compound: Trigofoenoside B
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6O)CO)C(O)C5)C)CC3)C2)C)C(C1(O)CCC(COC8OC(C(O)C(O)C8O)CO)C)C
Compound: 2-Feruloyl-1-sinapoylgentiobiose
SMILES: O1C(C(O)C(O)C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C1OC(=O)/C=C/C3=CC(OC)=C(O)C(OC)=C3)COC4OC(C(O)C(O)C4O)CO
Compound: Spinosin 6'''-(E)-sinapoyl ester
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=CC2OC)[H])CO)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)COC(=O)/C=C/C6=CC(OC)=C(O)C(OC)=C6
Compound: 4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde
SMILES: O1[C@H]([C@H](OC(=O)C)[C@@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C=O)C
Compound: Tectorigenin 7-O-gentiobioside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC=C(O)C=C4)=C2)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: Dehydrocrepenynic acid
SMILES: OC(=O)CCCCCCC/C=C\CC#C/C=C\CCC
Compound: 13-F4-NeuroP
SMILES: OC1C(C(C(O)C1)/C=C/C(O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC
Compound: 16-E1c-PhytoP
SMILES: O[C@H]1[C@H]([C@@H](CCCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CC
Compound: Asparagoside E
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)CO)CC5)C)CC3)C2)C)C(C1(O)CCC(COC8OC(C(O)C(O)C8O)CO)C)C
Compound: Threonylhydroxyproline
SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](N)[C@H](O)C)C(O)=O
Compound: (4R)-4-Hydroxy-L-glutamic acid
SMILES: OC(CC(N)C(O)=O)C(O)=O
Compound: 3,4,5-trihydroxy-6-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oxane-2-carboxylic acid
SMILES: O1C(OC=2C3=C(OC=C3)C=C4OC(=O)C=CC24)C(O)C(O)C(O)C1C(O)=O
Compound: 2-Hydroxynevirapine glucuronide
SMILES: O1[C@@H](OC2=NC=3N(C4CC4)C=5N=CC=CC5C(=O)NC3C(=C2)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside
SMILES: O(C1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC([C@@H](O)C(O)[C@H]5O)COC(=O)/C=C/C6=CC(OC)=C(O)C(OC)=C6
Compound: AzII
SMILES: O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)([C@H](OC6OC(=C(O)C(=O)C6)C)CC(C5)(C)C)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(CO)C)[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[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C(O)=O)C(O)=O
Compound: Luteolin 3'-sulfate
SMILES: S(OC=1C=C(C=2OC=3C(C(=O)C2)=C(O)C=C(O)C3)C=CC1O)(O)(=O)=O
Compound: LysoPI(16:0/0:0)
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione
SMILES: O1C(CCCC(=O)C=CC1=O)C(=O)C
Compound: Laricitrin 3-rutinoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: Calendulaglycoside E
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(OC7OC(C(O)C(O)C7O)CO)C(O)C6O)C(O)=O
Compound: Ampeloside Bf1
SMILES: O1C2C(C3(C(C4C(C5(C(C(O)C4)CC(OC6OC(C(OC7OC(C(O)C(OC8OC(C(O)C(O)C8O)CO)C7O)CO)C(O)C6O)CO)C(O)C5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
SMILES: O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(C4=CC(O)=C(O)C=C4)=CC(OC3C=C(OC)C2)=O)CO
Compound: Monic acid
SMILES: O1[C@H]([C@@H]1[C@H]([C@@H](O)C)C)C[C@@H]2[C@@H](O)[C@@H](O)[C@@H](OC2)C/C(/C)=C/C(O)=O
Compound: Formononetin 7-O-apiosyl-(1->2)-glucoside
SMILES: O(C1C(O)C(O)C(OC1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO)C5OCC(O)(C5O)CO
Compound: (Z)-7-(5-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-1,2-dioxolan-3-yl)-7-hydroperoxyhept-4-enoic acid
SMILES: O1OC(CC1C(OO)C/C=C\CCC(O)=O)/C=C/C=C/C/C=C\C/C=C\CC
Compound: Annomuricin A
SMILES: O1C(CCC1C(O)CCCCCCCCCCCC)C(O)CCCC(O)C(O)CCCCCC(O)CC2=CC(OC2=O)C
Compound: 6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C=C2)C(O)=O)C(O)=O
Compound: Kessane
SMILES: O1[C@@]2([C@]3([C@](C[C@](C1(C)C)(CC2)[H])([C@@H](CC3)C)[H])[H])C
Compound: Hovenidulcioside B1
SMILES: O1C[C@@]2([C@]3([C@@]([C@@]4([C@@](CC3)(C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CO)CC4)(C)C)[H])C)(CC[C@@]2([C@H]([C@@H](OC(=O)C)C[C@H]7OC(=O)[C@@H](C7)C)C)[H])[H])C)CC1=O
Compound: Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-6-methyl-, (6a,20S)-
SMILES: O[C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C([C@H](C3)C)=CC(=O)C=C4)C)(C(=O)C2)[H])[H])(CC1)[H])C)[C@@H](O)CO
Compound: Glycyrdione B
SMILES: O1C(C=CC2=C1C=CC(=C2)C(=O)CC(=O)C=3C=C(CC=C(C)C)C(O)=CC3O)(C)C
Compound: 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
SMILES: O1C2=C(C(=O)C=C1C=3C(OC)=CC=CC3O)C(O)=CC(O)=C2OC
Compound: Pinocembrin 7-O-neohesperidoside 2'''-O-acetate
SMILES: O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=CC=C4)CO)C5OC(C(O)C(O)C5OC(=O)C)C
Compound: Isohumulone A
SMILES: OC1(C(C(=O)C(=C1O)C(=O)CC(C)C)CC=C(C)C)C(=O)CC=C(C)C
Compound: Rhamnocitrin 3-rutinoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Compound: Withaperuvin C
SMILES: O[C@]12[C@@]([C@@](O)(CC1)[C@@](O)([C@@]3(OC(=O)C(=C(C3)C)C)[H])C)(CC[C@]4([C@]2(C[C@@H](O)C=5[C@]4(C)C(=O)C=CC5)[H])[H])C
Compound: Luteolin 7-methylglucuronide
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)C(OC)=O
Compound: tert-butyl p-Toluate
SMILES: O(C(C)(C)C)C(=O)C1=CC=C(C=C1)C
Compound: rhamnetin 3-rhamninoside
SMILES: O([C@@H]1C(O)[C@@H](OC([C@@H]1O)C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(OC)C4)C5=CC(O)=C(O)C=C5)C(O)C(O)[C@H]2O)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: 4-Methyl-1-phenyl-2-pentanol
SMILES: OC(CC(C)C)CC1=CC=CC=C1
Compound: 13-epi-13-J4-NeuroP
SMILES: O=C1[C@H]([C@H](C=C1)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC
Compound: 8,11,14-Octadecatriynoic acid
SMILES: OC(=O)CCCCCCC#CCC#CCC#CCCC
Compound: Arenobufagin
SMILES: O[C@@]12[C@]3([C@@]([C@@]4([C@](CC3)(C[C@@H](O)CC4)[H])C)([C@H](O)C(=O)[C@@]1([C@H](CC2)C=5C=CC(OC5)=O)C)[H])[H]
Compound: 7-Hydroxycadalene
SMILES: OC1=CC=2C(=C(C(C)C)C=CC2C)C=C1C
Compound: Quercetin 3-galactoside-7-neohesperidoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=C(O[C@@H]4OC([C@H](O)C(O)C4O)CO)C(=O)C3=C(O)C2)C5=CC(O)=C(O)C=C5)CO)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/16:3(7Z,10Z,13Z))
SMILES: O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC[C@H](OC(=O)CCCCC/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)CO
Compound: 3,12-Dioxo-5beta-chol-14-en-24-oic Acid
SMILES: O=C1[C@]2(C([C@]3([C@@]([C@@]4([C@](CC3)(CC(=O)CC4)[H])C)(C1)[H])[H])=CC[C@@]2([C@@H](CCC(O)=O)C)[H])C
Compound: Rhamnellaflavoside C
SMILES: O1[C@](C[C@@H](O)[C@H](O)C1C)(C2=C(O)C3=C(OC(C4=CC=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C4)=CC3=O)C=C2O)[H]
Compound: 3-Propylidene-1(3H)-isobenzofuranone
SMILES: O1/C(/C=2C(C1=O)=CC=CC2)=C\CC
Compound: Alopecurone G
SMILES: O1[C@@](CC(=O)C2=C1C(C[C@@H](CC=C(C)C)C(C)=C)=C(O)C=C2)(C3=C(OC)C=C(O)C=C3)[H]
Compound: 28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide]
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)(CO)C)C7OC(C(O)C(OC8OC(C(O)C(O)C8O)C)C7O)C(O)=O
Compound: Dihydrowogonin 7-O-glucoside
SMILES: O1[C@@H](C(O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=3OC(CC(=O)C3C(O)=C2)C4=CC=CC=C4)CO
Compound: 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
SMILES: O1C(C(O)CC2=C1C(=C(OC)C=C2O)C(=O)/C=C/C3=CC=CC=C3)(C)C
Compound: Ketoisanic acid
SMILES: OC(=O)CCCCCCC(=O)C#CC#CCCCCC=C
Compound: Licoleafol
SMILES: O1[C@@H](CC(=O)C=2C1=C(C/C=C(/CO)\C)C(O)=CC2O)C3=CC(O)=C(O)C=C3
Compound: Kurilensoside E
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@@](CC2)([C@@H](O)[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5OC)CC4)[H])C)[H])C)[H]
Compound: Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
SMILES: O1[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@@H](O)[C@H]2O)[C@@H](O)C(O[C@@H]6OC[C@@H](O)[C@H](O)C6O)[C@@H](O)C1C
Compound: Desglucoparillin
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6O)COC8OC(C(O)C(O)C8O)CO)CC5)C)CC3)C2)C)C(C19OCC(CC9)C)C
Compound: (R)-5-Hydroxy-2,4-dimethoxydalbergiquinol
SMILES: O(C=1C([C@@H](C2=CC=CC=C2)C=C)=CC(O)=C(OC)C1)C
Compound: Latanoprost Lactone Diol
SMILES: O1[C@@]2([C@@]([C@H]([C@H](O)C2)CC[C@@H](O)CCC3=CC=CC=C3)(CC1=O)[H])[H]
Compound: 11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid
SMILES: O1C(CCCCCCCCCCC(O)=O)=C(C(=C1CCCC)C)C
Compound: Kuhlmannene
SMILES: O1C=2C(C(=CC1)C3=CC=CC=C3)=CC(O)=C(OC)C2OC
Compound: Kaempferol 3-(6-acetylgalactoside)
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C
Compound: 8,11-Dihydroxy-delta9-tetrahydrocannabinol
SMILES: O1C([C@]2([C@](C=3C1=CC(=CC3O)CCCCC)(C=C(C(O)C2)CO)[H])[H])(C)C
Compound: Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]
SMILES: OC1C(C2(C(C3C(C(=O)C2)(C=4C(CC3)=C(C(O)=C(OC5OC(C(O)C(O)C5O)COC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6O)CO)C4)C)C)(C1)C)C)C(O)(C)C(=O)CCC(OC(=O)C)(C)C
Compound: clavulolactone II
SMILES: O([C@]1(C/C=C\CCCCC)/C(/C(=O)C=C1)=C\C=C\[C@@H]2OC(=O)CC2)C(=O)C
Compound: 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one
SMILES: O1C=2CC3(C(CC2C(=C1)C)C(CCC3=O)=C)C
Compound: 4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol
SMILES: O(C1=C(C=C(O)C=C1C)C)CC(O)C
Compound: Lupiniol A1
SMILES: O1[C@@H](CC(=O)C2=C1C(=C(O)C(=C2O)CC(O)C(C)=C)CC=C(C)C)C3=CC=C(O)C=C3
Compound: (R)-3,7-Dimethyl-5-indanecarboxylic acid
SMILES: OC(=O)C1=CC=2C(CCC2C(=C1)C)C
Compound: Luteolin 7-sulfate-3'-rutinoside
SMILES: S(OC=1C=C2OC(C3=CC(O[C@@H]4OC([C@@H](O)C(O)C4O)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C)=C(O)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O
Compound: Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
SMILES: O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC3=C(O)C(O)=C(C=C3)C(=O)/C=C/C4=CC(O)=C(O)C=C4)COC(=O)C
Compound: 4-Vinylsyringol
SMILES: O(C1=C(O)C(OC)=CC(=C1)C=C)C
Compound: (E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
SMILES: O1C(C(C/C=C/C(=O)C)(C)C)=CC=C1C
Compound: Flemingin F
SMILES: O1C(CCC(O)C(C)=C)(C=CC=2C1=C(O)C=C(C2O)C(=O)/C=C/C3=CC=C(O)C=C3)C
Compound: 3,12-Dioxo-5beta-chol-8(14)-en-24-oic Acid
SMILES: O=C1[C@]2(C(=C3[C@@]([C@@]4([C@](CC3)(CC(=O)CC4)[H])C)(C1)[H])CC[C@@]2([C@@H](CCC(O)=O)C)[H])C
Compound: Schidigerasaponin D3
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6OC8OC(C(O)C(O)C8O)CO)CO)CC5)C)CC3)C2)C)C(C19OCC(CC9)C)C
Compound: 3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid
SMILES: O1C(=C(C(=C1CCC(O)=O)C)C)CCC(O)=O
Compound: 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin
SMILES: O1C2=C3C(=C4C1=CC(=O)C(O)=C4)C=C(OC3=CC(OC)=C2)O
Compound: 5(S),6(R)-Lipoxin A4 methyl ester
SMILES: O[C@@H](CCCC(OC)=O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCCC
Compound: Torvoside A
SMILES: O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@H]6O)C)C4)(C[C@@H](O)CC5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H](C1(O)CC[C@@H](CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)C)C)[H])[H]
Compound: alpha-Bisabolol oxide A
SMILES: O1C(C2CCC(=CC2)C)(CCC(O)C1(C)C)C
Compound: Bafetinib
SMILES: FC(F)(F)C1=C(CN2C[C@@H](N(C)C)CC2)C=CC(=C1)C(=O)NC3=CC(NC=4N=C(C=CN4)C=5C=NC=NC5)=C(C=C3)C
Compound: (23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
SMILES: O1[C@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C\4/C[C@@H](O)C[C@H](O)C4=C)[H])C)[H])C)CC(C1=O)=C
Compound: Phellodensin D
SMILES: O1C(CC2=C1C=C(O)C3=C2O[C@@H](CC3=O)C4=CC=C(O)C=C4)C(O)(C)C
Compound: 2,6-Dihydroxynaphthalene
SMILES: OC1=CC2=C(C=C(O)C=C2)C=C1
Compound: CAY10410
SMILES: O=C1\C(\[C@H](CC1)C/C=C\CCCC(O)=O)=C\C=C/CCCCC
Compound: 8-hydroxy-13,17-octadecadiene-9,11-diynoic acid
SMILES: OC(CCCCCCC(O)=O)C#CC#C/C=C\CCC=C
Compound: 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
SMILES: O1C2=C(CC=C(C1)C)C(O)=C(C(=O)CCC3=CC=CC=C3)C(O)=C2
Compound: 3,4',5-Trismethoxybenzophenone
SMILES: O(C1=CC(C(=O)C2=CC=C(OC)C=C2)=CC(OC)=C1)C
Compound: 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
SMILES: O(C1=C(C(O)=C(C(=O)CCC2=CC=C(O)C=C2)C(O)=C1)C)C
Compound: Isanic acid
SMILES: OC(=O)CCCCCCCC#CC#CCCCCC=C
Compound: 3,7,23-Trioxo-5beta-cholan-24-oic Acid
SMILES: O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(=O)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(CC(=O)CC4)[H])C)[H])C)[H])[H]
Compound: PG(18:4(6Z,9Z,12Z,15Z)/22:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: Virol A
SMILES: O[C@@H](CCCCC)/C=C/C=C/C#CC#CCCCO
Compound: 22:2(3Z,16Z)
SMILES: OC(=O)C/C=C\CCCCCCCCCCC/C=C\CCCCC
Compound: Toringin
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2)CO
Compound: Melongoside N
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)CC5)C)CC3)C2)C)C(C1(O)CCC(COC8OC(C(O)C(O)C8O)CO)C)C
Compound: Pueraria glycoside 2
SMILES: O1[C@H]([C@@H](O)C(O)C(O)[C@@]1(C=2C=3OC=C(C(=O)C3C=CC2O)C4=CC=C(O)C=C4)[H])CO[C@@H]5OC[C@@H](O)[C@H](O)C5O
Compound: Caffeoyl tyrosine
SMILES: OC(=O)C(NC(=O)/C=C/C1=CC(O)=C(O)C=C1)CC2=CC=C(O)C=C2
Compound: Calofloride
SMILES: O1C=2C(CC=C(C)C)(CC=C(C)C)C(=O)C(=C(O)C2C(CC1=O)C3=CC=CC=C3)C(=O)C(CC)C
Compound: 8-Hydroxycarvotanacetone
SMILES: OC(C1CC(=O)C(=CC1)C)(C)C
Compound: CL(8:0/8:0/8:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(O)=O)(O)=O
Compound: O-1821
SMILES: OC1=C(C2[C@@H](CCC(=C2)C)C(C)=C)C(O)=CC(=C1)C
Compound: Ptilosaponoside A
SMILES: S(O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)CO)[C@]3([C@@]([C@@]4([C@]([C@]5([C@](CC4)([C@H](CC5)C=C)C)[H])(CC3)[H])[H])(CC1)CO)[H])([O-])(=O)=O.[Na+].[Na+]
Compound: 4,14-dihydroxy-octadecanoic acid
SMILES: OC(CCCCCCCCCC(O)CCC(O)=O)CCCC
Compound: 8-Hydroxygalangin 7-methyl ether 8-butyrate
SMILES: O1C2=C(C(O)=CC(OC)=C2OC(=O)CCC)C(=O)C(O)=C1C3=CC=CC=C3
Compound: 8-hydroxy-10,12-octadecadiynoic acid
SMILES: OC(CCCCCCC(O)=O)CC#CC#CCCCCC
Compound: 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Compound: 3,12-Dioxo-5beta-chol-7-en-24-oic Acid
SMILES: O=C1[C@]2([C@](C=3[C@@]([C@@]4([C@](CC3)(CC(=O)CC4)[H])C)(C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
Compound: Scoparin 6''-O-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(OC)=C(O)C=C4)[H])CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: 7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin
SMILES: O1C2=C(C(C3=CC(O)=C(OC)C=C3)=CC1=O)C=CC(O)=C2
Compound: Prostaglandin E2 methyl ester
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(OC)=O)/C=C/[C@@H](O)CCCCC
Compound: PG(20:3(8Z,11Z,14Z)/21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 3-(3-Methylbutylidene)-1(3H)-isobenzofuranone
SMILES: O1/C(=C\CC(C)C)/C=2C(C1=O)=CC=CC2
Compound: AM404
SMILES: O=C(NC1=CC=C(O)C=C1)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: 6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC(=C(O)C=C2)C(O)=O)C(O)=O
Compound: b-Mercaptolactic acid
SMILES: SCC(O)C(O)=O
Compound: 17-F4-NeuroP
SMILES: OC1C(C(C(O)C1)/C=C/C(O)C/C=C\CC)C/C=C\C/C=C\CCC(O)=O
Compound: clavulolactone III
SMILES: O([C@]1(C/C=C\CCCCC)/C(/C(=O)C=C1)=C/C=C/[C@@H]2OC(=O)CC2)C(=O)C
Compound: Tomentosanol D
SMILES: O1[C@@H](CC(=O)C=2C1=C(CC(O)C(C)=C)C(O)=CC2O)C3=CC=C(O)C=C3
Compound: Annuolide A
SMILES: O1[C@@]2([C@@]3([C@@](CC=C3CO)(C(CC[C@]2(C(C1=O)=C)[H])=C)[H])[H])[H]
Compound: Kaempferol 3-(6''-ethylglucuronide)
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)C(OCC)=O
Compound: PS(13:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: ent-16-epi-13-J4-NeuroP
SMILES: O=C1[C@@H]([C@H](C=C1)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC
Compound: Afzelechin 5,4'-dimethyl ether
SMILES: O1[C@@H]([C@@H](O)CC2=C1C=C(O)C=C2OC)C3=CC=C(OC)C=C3
Compound: Halobetasol
SMILES: ClCC(=O)[C@]1(O)[C@@]2([C@]([C@]3([C@](F)([C@@H](O)C2)[C@@]4(C([C@@H](F)C3)=CC(=O)C=C4)C)[H])(C[C@@H]1C)[H])C
Compound: Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester
SMILES: O(C1C(O)C(OC(OC(=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2)C1O)COC3OC(C(O)C(O)C3O)CO)C4OC(C(O)C4O)CO
Compound: 6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC=2C=C(C=CC2)/C=C/C(O)=O)C(O)=O
Compound: Sagittatoside A
SMILES: O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Compound: 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside
SMILES: O(C1C(O)[C@@H](O[C@H](O)[C@@H]1O)OC2=CC=C(C=C2)C=3OC4=C(C(=O)C3OC)C(OC)=C(OC)C(O)=C4OC)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: Epicatechin 3',4'-dimethyl ether
SMILES: O1[C@@H]([C@H](O)CC=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC)C=C3
Compound: Quinquenoside F1
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(O)(CCC(O)C(O)(C)C)C)C
Compound: Hydroxyprogesterone acetate
SMILES: O([C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)C(=O)C)C(=O)C
Compound: (Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one
SMILES: O1C(=CC=2C(=CC=CC2)C1=O)/C=C\CC
Compound: Kenusanone E
SMILES: O1C(CC(=O)C2=C1C(CC=C(C)C)=C(OC)C=C2O)C3=C(O)C=C(OC)C=C3O
Compound: Cassiaside B
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(=CC(OC)=C2)C=C4OC(=CC(=O)C4=C3O)C)CO[C@@H]5OC[C@@](O)([C@H]5O)CO
Compound: Quercetol C
SMILES: O1C(CC(=O)C=2C1=C(C(OC)=CC2OC)/C=C/C(O)(C)C)C3=CC=CC=C3
Compound: Rhamnocitrin 3-rhamnoside
SMILES: O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)C
Compound: 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
SMILES: O=C1C(=C2C(CCC(C2)C(C(O)=O)=C)(C)C=C1)C
Compound: b-Chlorogenin 3-[2'',4''-dirhamnosylglucoside]
SMILES: O1C2C(C3(C(C4C(C5(C(C(O)C4)CC(OC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6OC8OC(C(O)C(O)C8O)C)CO)CC5)C)CC3)C2)C)C(C19OCC(CC9)C)C
Compound: Ugonin C
SMILES: O1C(C(C2=C1C=C(O)C3=C2OC(=C(OC)C3=O)C4=CC=C(O)C=C4)(C)C)C
Compound: 6-exo-Hydroxyfenchone
SMILES: O[C@@H]1[C@@]2(C[C@@](C(C2=O)(C)C)(C1)[H])C
Compound: Norselic acid C
SMILES: OC(=O)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(=O)C=C4)C)[H])[H])(CC[C@@]2([C@@H](CCC(C(C)C)=C)C)[H])[H]
Compound: 13,16-diepi-13-J4-NeuroP
SMILES: O=C1[C@H]([C@@H](C=C1)/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O)CC
Compound: PS(14:0/17:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside
SMILES: O([C@@H]1[C@H](O)C(O)[C@@H](OC1C)OC2=C(C=CC(O)=C2)C(=O)/C=C/C3=CC=C(O)C=C3)[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO
Compound: Sebiferic acid
SMILES: OC(=O)CCC1(C2C(C3(C(C4(C(CC3)C(CC4)C(C)=C)C)CC2)C)(CCC1C(C)=C)C)C
Compound: Topazolin hydrate
SMILES: OC(CCC1=C(O)C2=C(OC(=C(OC)C2=O)C3=CC=C(O)C=C3)C=C1O)(C)C
Compound: Artonin O
SMILES: O1C2=C(CC(C3=C2C(O)=C(C(=O)C3=O)CC=C(C)C)C(C)=C)C(=O)C4=C1C=C(O)C(=C4O)CC=C(C)C
Compound: 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene
SMILES: O(C1=C(C/C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)C(O)=C(O)C=C1)C
Compound: Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C
Compound: 14-methyl-20,14-retro-retinoic acid
SMILES: OC(=O)C(C(\C=C\C=C(\C=C\C=1C(CCCC1C)(C)C)/C)=C)C
Compound: 5,7,4'-Trihydroxy-3-methoxy-6-methylflavone
SMILES: O1C2=C(C(O)=C(C(O)=C2)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3
Compound: Kushenol V
SMILES: O1[C@@](CC(=O)C2=C1C=C(O)C(=C2O)CC=C(C)C)(C=3C(O)=CC(O)=C(OC)C3)[H]
Compound: PG(12:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Oleic Acid-biotin
SMILES: S1C(C2NC(=O)NC2C1)CCCCC(=O)NCCCCCNC(=O)CCCCCCCC=CCCCCCCCC
Compound: LysoPI(18:2(9Z,12Z)/0:0)
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)=O
Compound: Chrysoeriol 7-apiosyl-(1->6)-glucoside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OCC(O)([C@@H]5O)CO
Compound: 4-Oxo-13-cis-retinoate
SMILES: O=C1C(C(=C(CC1)C)/C=C/C(/C)=C/C=C/C(/C)=C\C(O)=O)(C)C
Compound: 5,8-diepi-5-A2-IsoP
SMILES: O=C1[C@H]([C@H](C/C=C\CCCCC)C=C1)/C=C/[C@H](O)CCCC(O)=O
Compound: 15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid
SMILES: O1C(C1CC)CC(O)/C=C/C=C\CCCCCCCC(O)=O
Compound: CP 47,497-C8-homolog C-8-hydroxy metabolite
SMILES: O[C@H]1C[C@](CCC1)(C2=C(O)C=C(C(CCCCCCCO)(C)C)C=C2)[H]
Compound: 19-Oxo-all-trans-retinoic acid
SMILES: O=C\C(\C=C\C=1C(CCCC1C)(C)C)=C/C=C/C(/C)=C/C(O)=O
Compound: Citbismine D
SMILES: O1[C@]([C@@](C2=C1C=C(O)C3=C2N(C4=C(C3=O)C=CC(O)=C4OC)C)(C5=C6OC(C=CC6=C7N(C8=C(C(=O)C7=C5O)C=CC(O)=C8OC)C)(C)C)[H])(C(O)(C)C)[H]
Compound: Antiarone K
SMILES: OC([C@]1([C@@H](C2=C(C1)C(OC)=C(OC)C=C2)CC(=O)C3=C(O)C=C(O)C=C3O)[H])(C)C
Compound: 6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)CCC(O)=O)C(O)=O
Compound: PG(14:0/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Quercetin 3-(3'''-benzoylsophoroside)-7-rhamnoside
SMILES: O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4OC([C@H](O)[C@H](O)C4O)C)C3)C5=CC(O)=C(O)C=C5)CO)[C@@H]6OC([C@@H](O)C(OC(=O)C7=CC=CC=C7)C6O)CO
Compound: PG(16:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O1C(C(O)C(O)C(O)C1OC2=C(O)C=CC(=C2)C(O)=O)C(O)=O
Compound: PA(12:0/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Compound: 15beta-hydroxycyproterone acetate
SMILES: ClC=1C=2[C@@]([C@@]3([C@]([C@]4([C@](CC3)([C@](OC(=O)C)(CC4O)C(=O)C)C)[H])(C1)[H])[H])(C5C(C5)C(=O)C2)C
Compound: Rhamnocitrin 3-glucuronide
SMILES: O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@H](O)[C@H]1C(O)=O
Compound: (S)-11,12,13-Trinor-7-calamenone
SMILES: O=C1CCC(C2=C1C=C(C=C2)C)C
Compound: 2-mononitroglycerol
SMILES: OCC(CO)O[N+]([O-])=O
Compound: PG(18:3(6Z,9Z,12Z)/0:0)
SMILES: P(OC[C@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: isorhamnetin 3-rutinoside-7-glucoside
SMILES: O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)C3)C5=CC(OC)=C(O)C=C5)CO[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Compound: Chalconaringenin 2'-O-glucoside 4'-O-gentobioside
SMILES: O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)C(=C(O)C2)C(=O)/C=C/C4=CC=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Compound: PS(14:1(9Z)/17:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4'-O-Methylepicatechin 7-O-glucuronide
SMILES: O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(O)=C(OC)C=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Compound: 6,9,12-Octadecatriynoic acid
SMILES: OC(=O)CCCCC#CCC#CCC#CCCCCC
Compound: Kushenol A
SMILES: O1C2=C(C[C@@H](CC=C(C)C)C(C)=C)C(O)=CC(O)=C2C(=O)C[C@]1(C=3C(O)=CC=CC3)[H]