MonarchInit/C3PO huggingface dataset:
Compound: TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[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)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: TG(22:1(13Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCC/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: PE(20:1(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\CCCCCCCC)(OCCN)(O)=O
Compound: dimethylmaleate(2-)
SMILES: C\C(C([O-])=O)=C(/C)C([O-])=O
Compound: TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/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: PE(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)(OCCN)(O)=O
Compound: TG(22:1(13Z)/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: TG(20:3(5Z,8Z,11Z)/16:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PC(22:5(4Z,7Z,10Z,13Z,16Z)/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\CCCCC)([O-])=O
Compound: TG(20:3(5Z,8Z,11Z)/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: PE(18:0/22:5(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)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(15:0/22:5(7Z,10Z,13Z,16Z,19Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)([O-])=O
Compound: TG(20:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/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: L-2-aminoadipate(2-)
SMILES: N[C@@H](CCCC([O-])=O)C([O-])=O
Compound: TG(20:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/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: TG(20:1(11Z)/14:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/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: PE(22:4(7Z,10Z,13Z,16Z)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/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: PE(22:2(13Z,16Z)/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:4(8Z,11Z,14Z,17Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(20:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(20:4(5Z,8Z,11Z,14Z)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: TG(20:1(11Z)/14:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PE(20:3(8Z,11Z,14Z)/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\CCCCC)(OCCN)(O)=O
Compound: 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol
SMILES: Nc1nc(O)c2N=C(CO)CNc2n1
Compound: TG(20:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[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(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:3(5Z,8Z,11Z)/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\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: PE(20:0/20:4(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)CCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(9Z)/18:1(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\CCCCCC
Compound: TG(18:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(18:4(6Z,9Z,12Z,15Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PE(18:3(9Z,12Z,15Z)/22:1(13Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: TG(18:1(9Z)/16:1(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\CCCCCC
Compound: 2-hydroxyglutaric acid
SMILES: OC(CCC(O)=O)C(O)=O
Compound: TG(18:1(9Z)/16:1(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\CCCCCC
Compound: PE(18:3(6Z,9Z,12Z)/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\CCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
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\CCCCCCCC
Compound: PE(22:1(13Z)/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\CCCCCCCC)(OCCN)(O)=O
Compound: PE(22:1(13Z)/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\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PE(22:0/18:4(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)CCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
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\C/C=C\CCCCC
Compound: PE(18:2(9Z,12Z)/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\CCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: PE(20:1(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\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: PE(20:1(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\CCCCCCCC)(OCCN)(O)=O
Compound: TG(18:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: PC(22:4(7Z,10Z,13Z,16Z)/15:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: TG(18:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z))
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\CCCCCCCC
Compound: TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[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)/14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(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\CCCCCC
Compound: D-Tagatose 1-phosphate
SMILES: P(OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)(O)(O)=O
Compound: TG(16:1(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\CCCCCC
Compound: TG(18:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 13,14-Dihydro PGF2alpha
SMILES: OC1C(C(C(O)C1)C/C=C/CCCC(O)=O)CCC(O)CCCCC
Compound: TG(18:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 3a,7b,12a-Trihydroxyoxocholanyl-Glycine
SMILES: O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NCC(O)=O)C)[H])[H])C
Compound: TG(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: Asitrilobin C
SMILES: O1C(CCC1C(O)CCCCCCCCCCCC)C(O)CC(O)CCCCCCCCCCC(O)CC2=CC(OC2=O)C
Compound: TG(18:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: Asitrilobin D
SMILES: O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCC)[H])([C@H](O)C[C@@H](O)CCCCCC[C@H](O)CCCCCCCC2=C[C@@H](OC2=O)C)[H]
Compound: TG(18:1(11Z)/16:1(9Z)/20:3n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: Annoglacin A
SMILES: O1[C@](CC[C@@]1([C@@H](O)CCCCCCCCCCCC)[H])([C@H](O)CCCC[C@H](O)CCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)[H]
Compound: TG(18:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: Squamoxinone
SMILES: O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCCCC)[H])([C@H](O)CCCCC[C@@H](O)CCCCCC[C@H]2OC(=O)C(C2)CC(=O)C)[H]
Compound: TG(16:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: Annomutacin
SMILES: O1C(CCC1C(O)CCCCCCCCCCCC)C(O)CCCCCCC(O)CCCCCC(O)CC2=CC(OC2=O)C
Compound: TG(20:2n6/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)C(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: Rollinecin A
SMILES: O1C(CC[C@@]1([C@@H](O)CCCCCCCCCCCC)[H])[C@H](O)CC[C@H](O)CCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C
Compound: TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(20:5n3/0:0/22:6n3)
SMILES: O(C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:2(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)CCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
SMILES: O([C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/14:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(20:5n3/0:0/22:5n3)
SMILES: O(C(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(22:1(13Z)/14:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:4n3/0:0/22:6n3)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(22:5n6/0:0/20:5n3)
SMILES: O(C[C@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/14:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(20:4n6/0:0/22:6n3)
SMILES: O(C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: TG(20:1(11Z)/16:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:1(11Z)/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
SMILES: O(C(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: (1R,2R,3R)-prephytoene diphosphate
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@]1(C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Compound: DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
SMILES: O([C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
SMILES: O(C(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
SMILES: O(C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(9Z)/16:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))
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\CCCCCCCC
Compound: DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
SMILES: O([C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: Sorbitan palmitate
SMILES: O1C(C(O)C(O)C1)C(O)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/18:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[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)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/16:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(18:1(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\CCCCCCCC
Compound: TG(18:1(9Z)/18:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[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)/16:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: 3-chloro-D-alanine
SMILES: N[C@H](CCl)C(O)=O
Compound: TG(18:1(9Z)/16:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[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)/16:1(9Z)/20:2n6)
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:1(11Z)/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\CCCCCC
Compound: TG(16:1(9Z)/20:1(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\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(9Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(16:1(9Z)/18:1(11Z)/20:2n6)
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(16:1(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\CCCCCC
Compound: TG(16:1(9Z)/20:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(16:1(9Z)/20:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[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)/18:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[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)/22:2(13Z,16Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/20:2n6/18:1(9Z))
SMILES: O([C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/20:2n6/18:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/22:2(13Z,16Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/22:2(13Z,16Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/20:2n6/20:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[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)/22:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(16:1(9Z)/18:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[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)/20:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: 2-dehydropantoic acid
SMILES: CC(C)(CO)C(=O)C(O)=O
Compound: TG(14:1(9Z)/20:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[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)/22:1(13Z)/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(14:1(9Z)/20:1(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\CCCCCCCC
Compound: TG(14:1(9Z)/18:1(9Z)/22:2(13Z,16Z))
SMILES: O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/18:1(11Z)/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)CCCCCCCCC/C=C\CCCCCC
Compound: TG(20:1(11Z)/14:0/20:1(11Z))
SMILES: O(C(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:1(11Z)/16:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/14:0/22:1(13Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:1(9Z)/18:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/16:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:1(9Z)/14:0/22:1(13Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(16:1(9Z)/22:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/20:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/20:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:1(9Z)/24:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/22:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/22:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:1(9Z)/16:0/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:1(9Z)/14:0/24:1(15Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(14:1(9Z)/20:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: strictosidine aglycone
SMILES: [H][C@@]1(C[C@]2([H])C(=CO[C@@H](O)[C@]2([H])C=C)C(=O)OC)NCCC2=C1NC1=C2C=CC=C1
Compound: TG(14:1(9Z)/18:0/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:1(9Z)/16:0/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(24:0/16:1(9Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(24:0/14:1(9Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(22:0/14:1(9Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(22:0/14:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(22:0/14:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:0/20:1(11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(22:0/18:1(9Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(22:0/18:1(11Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: biphenyl
SMILES: c1ccc(cc1)-c1ccccc1
Compound: TG(22:0/16:1(9Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(20:0/16:1(9Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:0/16:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(20:0/18:1(11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(20:0/14:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:0/22:1(13Z)/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:0/16:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(20:0/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(18:0/20:1(11Z)/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:0/18:1(9Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: veratraldehyde
SMILES: COc1ccc(C=O)cc1OC
Compound: TG(18:0/18:1(11Z)/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(18:0/18:1(11Z)/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:0/16:1(9Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:0/14:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(18:0/14:0/22:2(13Z,16Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:0/18:2(9Z,12Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Compound: TG(18:0/16:0/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/22:2(13Z,16Z)/16:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
Compound: TG(16:0/18:1(11Z)/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(16:0/16:1(9Z)/22:1(13Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: aspulvinone H
SMILES: CC(C)=CCc1cc(ccc1O)\C=C1OC(=O)C(=C/1O)c1ccc(O)c(CC=C(C)C)c1
Compound: TG(16:0/14:1(9Z)/24:1(15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(16:0/20:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: PE-NMe2(15:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(16:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:1(9Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: L-arabinono-1,4-lactone
SMILES: OC[C@@H]1OC(=O)[C@H](O)[C@H]1O
Compound: PE-NMe(18:1(11Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(9Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:1(11Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE(20:2(11Z,14Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PC(14:1(9Z)/18:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(14:1(9Z)/18:1(11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC)([O-])=O
Compound: PC(18:2(9Z,12Z)/14:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Compound: PC(18:1(9Z)/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: PC(18:1(11Z)/14:1(9Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: macarpine
SMILES: COc1cc2c3c(OC)cc4OCOc4c3c[n+](C)c2c2cc3OCOc3cc12
Compound: DG(22:0/0:0/14:1n5)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCC/C=C\CCCCCCCC
Compound: DG(20:0/0:0/16:1n7)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCC/C=C\CCCCCCCC
Compound: DG(14:0/0:0/22:1n9)
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: DG(18:0/0:0/18:1n9)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: DG(18:0/0:0/18:1n7)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: DG(16:0/0:0/20:1n9)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: PE-NMe2(15:0/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)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)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe2(16:0/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(18:0/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: 6-hydroxyprotopine
SMILES: CN1Cc2c(CC(=O)c3cc4OCOc4cc3CC1O)ccc1OCOc21
Compound: PE-NMe(16:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE(18:0/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE-NMe2(15:0/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:4(7Z,10Z,13Z,16Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: 4-maleylacetoacetate
SMILES: [O-]C(=O)CC(=O)CC(=O)\C=C/C([O-])=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe2(18:1(11Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(18:0/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:0/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:1(9Z)/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(9Z)/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(11Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:1(11Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:0/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe2(15:0/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(18:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe2(20:2(11Z,14Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(16:0/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:1(9Z)/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(11Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(11Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:1(9Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:1(9Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:2(13Z,16Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: 7,8-dihydro-7,8-dihydroxykynurenic acid
SMILES: OC1C=Cc2c(O)cc(nc2C1O)C(O)=O
Compound: PE-NMe(22:1(13Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:1(11Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE(22:2(13Z,16Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE-NMe2(18:0/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:0/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(14:1(9Z)/22:1(13Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(14:0/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(11Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: 1-guanidino-1-deoxy-scyllo-inositol
SMILES: NC(=N)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Compound: PE-NMe2(18:1(11Z)/18:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:1(9Z)/18:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:1(9Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:2(13Z,16Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:1(13Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:1(11Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:2(11Z,14Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(15:0/22:2(13Z,16Z))
SMILES: P(OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(22:2(13Z,16Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: 5-O-phosphono-alpha-D-ribofuranosyl diphosphate
SMILES: O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP(O)(O)=O)OP(O)(=O)OP(O)(O)=O
Compound: PE-NMe2(18:0/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe(18:0/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/20:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:0/18:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:0/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: Cervonyl carnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: PE-NMe2(18:1(11Z)/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)CCCCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:1(9Z)/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)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)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(18:4(6Z,9Z,12Z,15Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/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(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/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)/20:4(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\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:2(9Z,12Z)/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\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: erythritol
SMILES: OC[C@H](O)[C@H](O)CO
Compound: PE-NMe2(18:1(9Z)/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)CCCCCCC/C=C\CCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(8Z,11Z,14Z,17Z)/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\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:4(5Z,8Z,11Z,14Z)/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\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)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)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/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)/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)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)/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/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)/18:4(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\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: N(5)-formyl-5,6,7,8-tetrahydromethanopterin
SMILES: [H][C@](C)(Nc1ccc(C[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@]([H])(CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1)C1N(C=O)c2c(N[C@@]1([H])C)nc(N)[nH]c2=O
Compound: TG(20:2n6/14:0/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[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(18:3(6Z,9Z,12Z)/14:0/20:2n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/16:1(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\CCCCCC
Compound: TG(18:2(9Z,12Z)/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\C/C=C\CCCCC
Compound: TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[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)/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCC)[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(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[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(20:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
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\C/C=C\CC
Compound: TG(20:1(11Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCC/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(20:1(11Z)/14:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: L-serine
SMILES: N[C@@H](CO)C(O)=O
Compound: TG(18:1(9Z)/16:1(9Z)/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)CCCCCCC/C=C\CCCCCC
Compound: TG(18:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
SMILES: O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Compound: TG(18:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC