MonarchInit/C3PO huggingface dataset:
Compound: TG(18:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCC)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:1(9Z)/14:1(9Z)/20:3n6)
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/14:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[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)/16:1(9Z)/20:3n6)
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: 5-dehydro-4-deoxy-D-glucuronate
SMILES: [H]C(=O)[C@H](O)[C@@H](O)CC(=O)C([O-])=O
Compound: TG(16:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/18:3(9Z,12Z,15Z)/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\C/C=C\CC
Compound: TG(16:1(9Z)/20:3n6/16:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:3n6/18:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:3n6/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:2n6/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: aldehydo-D-galactose
SMILES: [H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
Compound: TG(16:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE-NMe(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe2(15:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe(16:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: 3alpha-hydroxy-5beta-pregnan-20-one
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O
Compound: hexanoate
SMILES: CCCCCC([O-])=O
Compound: PE-NMe(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: oxomalonate(2-)
SMILES: [O-]C(=O)C(=O)C([O-])=O
Compound: PE-NMe(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(15:0/22:5(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)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:0/22:5(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)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)([O-])=O
Compound: PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: aldehydo-N-acetyl-D-mannosamine
SMILES: C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C)=O
Compound: PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: PC(14:1(9Z)/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)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC)([O-])=O
Compound: DG(18:1n9/0:0/20:3n6)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:1n9/0:0/20:3n9)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: DG(18:1n7/0:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:1n7/0:0/20:3n9)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: DG(20:0/0:0/18:4n3)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(18:0/0:0/20:4n3)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 2-aminoacrylic acid
SMILES: NC(=C)C(O)=O
Compound: DG(20:1n9/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: DG(20:1n9/0:0/18:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(16:0/0:0/22:4n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(18:2n6/0:0/18:2n6)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCCC)CC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC
Compound: DG(18:0/0:0/20:4n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: 6-acetamido-3-aminohexanoate
SMILES: CC(=O)NCCCC(N)CC([O-])=O
Compound: PE-NMe2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: carnitine
SMILES: C[N+](C)(C)CC(O)CC([O-])=O
Compound: PE-NMe2(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(11Z)/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(11Z)/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:0/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:0/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:4(7Z,10Z,13Z,16Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:0/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: glucotropeolin
SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CC=2C=CC=CC2
Compound: PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(6Z,9Z,12Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(8Z,11Z,14Z,17Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(5Z,8Z,11Z,14Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: adipate(2-)
SMILES: [O-]C(=O)CCCCC([O-])=O
Compound: PE-NMe2(20:3(5Z,8Z,11Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(5Z,8Z,11Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:2(11Z,14Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: TG(22:2(13Z,16Z)/16:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(20:3n6/14:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:2n6/16:1(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\CCCCCC
Compound: TG(20:2n6/14:1(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)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:2n6/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(20:2n6/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: (S)-scoulerine
SMILES: [H][C@@]12Cc3ccc(OC)c(O)c3CN1CCc1cc(OC)c(O)cc21
Compound: TG(18:3(6Z,9Z,12Z)/16:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/20:1(11Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/18:1(11Z)/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)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:2(9Z,12Z)/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\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:2(9Z,12Z)/20:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/18:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(24:1(15Z)/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: 10-oxocapric acid
SMILES: [H]C(=O)CCCCCCCCC(O)=O
Compound: TG(24:1(15Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(24:1(15Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:1(13Z)/14:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(22:1(13Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/14:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:3(5Z,8Z,11Z)/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)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/18:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/16:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:3(5Z,8Z,11Z)/14:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: (3,5-diiodo-4-hydroxyphenyl)pyruvic acid
SMILES: OC(=O)C(=O)Cc1cc(I)c(O)c(I)c1
Compound: TG(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
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\C/C=C\CCCCC
Compound: TG(20:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(20:1(11Z)/16:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: diethyl (2R,3R)-2-hydroxy-3-methylsuccinate
SMILES: CCOC(=O)[C@H](C)[C@@H](O)C(=O)OCC
Compound: TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:3n6/18:1(9Z))
SMILES: O(CC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(9Z)/20:2n6/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/18:2(9Z,12Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/18:1(11Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: deoxylimonoic acid
SMILES: [H][C@]12CC(=O)OC[C@@]1([C@@]1([H])CC[C@]3(C)C(CC(=O)O[C@@]3([H])c3ccoc3)=C1C)[C@@]([H])(CC(O)=O)C(C)(C)O2
Compound: TG(18:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/20:3n6/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/20:3n6/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE-NMe2(18:1(11Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:0/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:0/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:1(9Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(14:1(9Z)/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN(C)C)(O)=O
Compound: octopamine
SMILES: NCC(O)c1ccc(O)cc1
Compound: PE-NMe2(22:2(13Z,16Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(6Z,9Z,12Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(5Z,8Z,11Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:2(11Z,14Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE(22:2(13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:3(8Z,11Z,14Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:3(5Z,8Z,11Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(20:2(11Z,14Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:1(11Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(20:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(20:0/18:3(6Z,9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(18:1(9Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(18:1(11Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: PE(18:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(18:0/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 2,8-dihydroxy-1,4-naphthoquinone
SMILES: C1=CC=C(C2=C1C(C=C(C2=O)O)=O)O
Compound: PE(18:3(9Z,12Z,15Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(18:3(6Z,9Z,12Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(18:2(9Z,12Z)/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PC(20:3(8Z,11Z,14Z)/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\CCCCC)([O-])=O
Compound: PC(20:3(5Z,8Z,11Z)/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\CCCCCCCC)([O-])=O
Compound: TG(18:1(11Z)/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(9Z)/14:1(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\CCCC
Compound: TG(18:1(9Z)/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(9Z)/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/14:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(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\CCCCCC
Compound: TG(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:2n6/16:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[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)/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(14:1(9Z)/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(14:1(9Z)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: glyceraldehyde 3-phosphate
SMILES: [H]C(=O)C(O)COP(O)(O)=O
Compound: TG(14:1(9Z)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/16:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(14:1(9Z)/18:1(9Z)/18:2(9Z,12Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(14:1(9Z)/18:1(11Z)/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(14:1(9Z)/16:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:1(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\CCCC
Compound: TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(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\CCCC
Compound: TG(18:0/18:3(9Z,12Z,15Z)/14:1(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\CCCC
Compound: TG(18:0/14:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:0/14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:0/18:3(6Z,9Z,12Z)/14:1(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\CCCC
Compound: TG(16:0/18:4(6Z,9Z,12Z,15Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/18:3(9Z,12Z,15Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:0/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:0/20:3n6/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:0/14:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: D-xylulose
SMILES: C(O)C(=O)[C@@H](O)[C@H](O)CO
Compound: TG(16:0/14:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(16:0/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCCCCCC
Compound: TG(16:0/20:3(5Z,8Z,11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(15:0/20:4(8Z,11Z,14Z,17Z)/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC
Compound: TG(16:0/14:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(15:0/20:4(5Z,8Z,11Z,14Z)/15:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC
Compound: TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/18:3(9Z,12Z,15Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/18:3(9Z,12Z,15Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:0)
SMILES: O(C(=O)CCCCCCCCCCCCC)CC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC
Compound: PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: 5-formyl-2-hydroxyhepta-2,4-dienedioic acid
SMILES: [H]C(=O)C(\CC(O)=O)=C/C=C(\O)C(O)=O
Compound: PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: 5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one
SMILES: Cc1cc2C(O)C(O)C=Cc2[nH]c1=O
Compound: PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:0/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: TG(22:1(13Z)/14:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: 2-(3-amino-3-carboxypropyl)-L-histidine
SMILES: NC(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O
Compound: TG(20:1(11Z)/14:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(20:1(11Z)/16:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/14:0/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:1(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\CCCCCCCC
Compound: TG(18:1(11Z)/18:1(9Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/18:1(9Z)/18:1(11Z))
SMILES: O(C(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(11Z)/18:1(11Z)/18:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/18:1(11Z)/18:1(11Z))
SMILES: O(C(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/16:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/14:0/22:2(13Z,16Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: urate D-ribonucleotide
SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Compound: TG(16:1(9Z)/22:1(13Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:1(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\CCCCCCCC
Compound: TG(18:1(9Z)/18:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:1(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\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:1(11Z)/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)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/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)CCCCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/20:1(11Z)/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/20:1(11Z)/18:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(11Z)/20:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/16:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: anhydrotetracycline
SMILES: [C@@]12([C@](C(C=3C(=C4C(=CC=CC4=C(C3C1)C)O)O)=O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O)[H]
Compound: TG(16:1(9Z)/14:1(9Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/20:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/18:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:1(9Z)/22:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/16:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:1(9Z)/20:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/18:0/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/24:1(15Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/22:1(13Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/22:1(13Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one
SMILES: Nc1cnn(-c2cccc(O)c2O)c(=O)c1Cl
Compound: TG(14:1(9Z)/20:1(11Z)/20:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(14:1(9Z)/18:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/18:1(11Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/16:1(9Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(22:0/18:2(9Z,12Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(22:0/14:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(22:0/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:0/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/20:2n6/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:0/16:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:0/14:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:0/18:3(9Z,12Z,15Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC
Compound: TG(18:0/22:2(13Z,16Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(18:0/20:2n6/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(20:0/16:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC