MonarchInit/C3PO huggingface dataset:
Compound: PS(16:0/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(20:0/14:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/16:1(9Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: PC(P-18:1(9Z)/P-16:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCCCCCCCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(P-18:1(11Z)/P-16:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCCCCCCCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: TG(18:0/16:0/14:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCCCCCC
Compound: PC(P-16:0/P-18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCCCCCCCCCC)([O-])=O
Compound: TG(16:0/14:1(9Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: all-trans-undecaprenyl diphosphate
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
Compound: PC(P-16:0/P-18:1(11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCCCCCCCCCC)([O-])=O
Compound: TG(16:0/18:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PA(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(16:0/14:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: PA(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(15:0/18:1(9Z)/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PA(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(15:0/18:1(11Z)/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: TG(15:0/15:0/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCC
Compound: nororientaline
SMILES: COc1cc(CC2NCCc3cc(OC)c(O)cc23)ccc1O
Compound: PA(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(15:0/15:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCC
Compound: PA(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/20:1(11Z)/14:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: PA(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: TG(14:0/18:1(9Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PA(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: TG(14:0/18:1(11Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PA(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/16:1(9Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: TG(14:0/14:1(9Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC
Compound: PA(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/20:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PA(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/18:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PA(22:2(13Z,16Z)/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/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/16:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: PA(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:0/14:0/20:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: 3-phosphoglyceric acid
SMILES: OC(COP(O)(O)=O)C(O)=O
Compound: PA(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: TG(18:0/14:0/16:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: PA(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(16:0/14:0/18:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: PA(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: TG(16:1(9Z)/18:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PA(20:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: TG(16:1(9Z)/16:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: TG(16:1(9Z)/14:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PA(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:1(9Z)/18:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PA(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: TG(14:1(9Z)/18:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PA(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: TG(14:1(9Z)/16:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/14:0/22:1(13Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCCCC
Compound: PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/20:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: 3-phosphoshikimic acid
SMILES: O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O
Compound: TG(14:1(9Z)/22:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(22:0/14:1(9Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(P-16:0/22:5(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\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(20:0/16:1(9Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(P-16:0/22:5(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\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(20:0/14:1(9Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:0/18:1(9Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: L-aspartic acid
SMILES: N[C@@H](CC(O)=O)C(O)=O
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/18:1(11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:0/14:1(9Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/14:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:0/18:1(11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:0/16:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(16:0/14:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(16:0/18:2(9Z,12Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:0/20:1(11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:1(9Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(16:0/14:0/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(15:0/20:2n6/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(15:0/15:0/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCCC
Compound: TG(14:0/22:2(13Z,16Z)/14:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(14:0/20:1(11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: 1-carboxyvinyl carboxyphosphonate
SMILES: OC(=O)C(=C)OP(O)(=O)C(O)=O
Compound: PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:1(11Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/18:1(11Z)/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/16:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: PE(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
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)(OCCN)(O)=O
Compound: TG(14:0/14:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(14:0/20:2n6/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: cellobiose
SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: TG(14:0/18:2(9Z,12Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/22:1(13Z)/14:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: PE(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/16:0/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: PE(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/14:0/22:2(13Z,16Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: 3-dehydroecdysone
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O
Compound: Glycerol 1,3-dihexadecanoate 2-(9Z,12Z-octadecadienoate)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: Glycerol 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Compound: PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: Glycerol 1,2-di-(9Z-octadecenoate) 3-tetradecanoate
SMILES: O(C(=O)CCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
Compound: PE(16:0/22:5(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)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/14:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(16:0/22:5(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)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:0/14:0/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: PE(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: 2-methylcholine
SMILES: CC(O)C[N+](C)(C)C
Compound: TG(16:1(9Z)/16:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/18:1(9Z)/16:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(P-18:1(11Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/18:1(11Z)/16:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(P-18:1(11Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/16:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(P-18:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO/C=C\CCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(P-16:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(9Z)/14:1(9Z)/18:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:1(11Z)/14:1(9Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/14:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/14:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/16:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/P-18:0)
SMILES: P(OC[C@H](O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: D-glutamine
SMILES: O=C(O)[C@H](N)CCC(=O)N
Compound: TG(14:1(9Z)/18:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:3(8Z,11Z,14Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/16:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(20:3(5Z,8Z,11Z)/P-18:1(9Z))
SMILES: P(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/14:0/22:2(13Z,16Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(14:1(9Z)/22:1(13Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(22:4(7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/20:1(11Z)/16:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(20:4(5Z,8Z,11Z,14Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(9Z)/18:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(20:3(8Z,11Z,14Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(9Z)/18:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(20:3(8Z,11Z,14Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(11Z)/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:3(5Z,8Z,11Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(11Z)/18:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(20:3(5Z,8Z,11Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/16:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: L-erythrulose 1-phosphate
SMILES: OC[C@H](O)C(=O)COP(O)(O)=O
Compound: TG(14:1(9Z)/14:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(20:2(11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:0/14:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(18:4(6Z,9Z,12Z,15Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/14:0/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCCCCCC
Compound: PE(18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:0/18:2(9Z,12Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(18:3(6Z,9Z,12Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: 4-nitroaniline
SMILES: Nc1ccc(cc1)[N+]([O-])=O
Compound: TG(16:0/20:2n6/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(18:2(9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(16:0/18:3(6Z,9Z,12Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: PE(18:1(9Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(16:0/18:2(9Z,12Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(18:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(16:0/18:3(9Z,12Z,15Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC
Compound: PE(18:1(11Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(16:0/14:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(18:1(11Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: 3',5'-cyclic CMP
SMILES: Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1
Compound: TG(16:0/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(16:1(9Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(16:0/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(16:0/14:0/20:3n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: PE(20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(15:0/20:3n6/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PE(18:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(15:0/20:3(5Z,8Z,11Z)/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: PC(20:4(8Z,11Z,14Z,17Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: (R)-3-hydroxybutyric acid
SMILES: C[C@@H](O)CC(O)=O
Compound: TG(15:0/15:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PC(20:4(5Z,8Z,11Z,14Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: PC(15:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: TG(15:0/15:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(14:0/18:3(9Z,12Z,15Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/22:2(13Z,16Z)/14:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:0/20:3(5Z,8Z,11Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE(24:1(15Z)/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(22:2(13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:1(11Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(22:1(13Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/16:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:2(11Z,14Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/14:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:0/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(18:2(9Z,12Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:0/20:3n6/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE(18:1(9Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
SMILES: COc1cc(ccc1O)C(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: TG(14:0/20:2n6/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:0/18:3(6Z,9Z,12Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE(18:1(11Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:2(9Z,12Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(16:1(9Z)/22:1(13Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:2(9Z,12Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(16:0/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(14:0/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(20:1(11Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: 3-hydroxybenzyl alcohol
SMILES: OCc1cccc(O)c1
Compound: PE(20:1(11Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(14:1(9Z)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN)(O)=O
Compound: TG(20:1(11Z)/14:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PC(20:2(11Z,14Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: TG(20:1(11Z)/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PC(15:0/20:2(11Z,14Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: TG(20:1(11Z)/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PS(22:4(7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: PS(20:2(11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(11Z)/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PS(20:1(11Z)/18:3(9Z,12Z,15Z))
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](N)C(O)=O)(O)=O
Compound: TG(18:1(11Z)/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PS(20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(11Z)/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PS(20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(9Z)/14:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PS(18:4(6Z,9Z,12Z,15Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(9Z)/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: glycolaldehyde
SMILES: [H]C(=O)CO
Compound: PS(18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(9Z)/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PS(18:3(6Z,9Z,12Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(18:2(9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(9Z)/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PS(16:0/22:4(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)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: TG(18:1(11Z)/14:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PC(P-18:1(9Z)/P-18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: TG(16:1(9Z)/16:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: N-amidino-L-aspartic acid
SMILES: NC(=N)N[C@@H](CC(O)=O)C(O)=O
Compound: PC(P-18:1(9Z)/P-18:1(11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(P-18:1(11Z)/P-18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCC/C=C\CCCCCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: TG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PC(P-18:1(11Z)/P-18:1(11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](O/C=C\CCCCCCCC/C=C\CCCCCC)CO/C=C\CCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: PE-NMe2(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/20:2n6/16:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Cypridina luciferin
SMILES: [H][C@](C)(CC)c1nc2c(CCCNC(N)=N)[nH]c(cn2c1=O)-c1c[nH]c2ccccc12
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/22:2(13Z,16Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/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\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/20:2n6/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:2n6/18:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/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: TG(16:1(9Z)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: cycasin
SMILES: C\[N+]([O-])=N/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/18:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[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\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: 6-hydroxyhexano-6-lactone
SMILES: OC1CCCCC(=O)O1
Compound: TG(14:1(9Z)/20:1(11Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:1(11Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/16:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(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)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(14:1(9Z)/18:2(9Z,12Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(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)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: streptomycin
SMILES: CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N
Compound: PE(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)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(20:0/18:3(9Z,12Z,15Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(18:1(11Z)/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)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(20:0/14:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)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(20:0/14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PC(15:0/22:6(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)CCCCCCCCCCCCCC)([O-])=O
Compound: TG(18:0/18:3(9Z,12Z,15Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: 2-carboxy-D-arabinitol
SMILES: OC[C@@H](O)[C@@H](O)[C@](O)(CO)C(O)=O
Compound: TG(18:0/20:3n6/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:0/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:0/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:0/14:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: L-gamma-glutamyl-L-cysteinyl-beta-alanine
SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(O)=O)C(O)=O
Compound: TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(22:2(13Z,16Z)/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/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:0/14:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(22:2(13Z,16Z)/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(20:2n6/14:1(9Z)/20:2n6)
SMILES: O(C(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: (S)-3'-hydroxy-N-methylcoclaurine
SMILES: COc1cc2CCN(C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O
Compound: TG(20:2n6/16:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(20:2n6/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/16:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/16:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:2(9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O