MonarchInit/C3PO huggingface dataset:
Compound: TG(20:0/16:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/14:0/20:3n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: TG(20:0/14:0/20:3(5Z,8Z,11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Compound: TG(i-19:0/19:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC
Compound: TG(19:0/i-19:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC
Compound: TG(19:0/a-17:0/12:0)[rac]
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC
Compound: TG(i-19:0/a-17:0/i-12:0)[rac]
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(CC)C
Compound: TG(19:0/16:0/a-13:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(19:0/16:0/i-13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCC
Compound: TG(19:0/16:0/13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(i-19:0/16:0/13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(i-19:0/i-16:0/i-13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(C)C
Compound: TG(i-19:0/16:0/a-13:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCC
Compound: TG(i-19:0/i-16:0/13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC(C)C
Compound: TG(19:0/i-16:0/i-13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(C)C
Compound: 2-phosphoglycolic acid
SMILES: OC(=O)COP(O)(O)=O
Compound: TG(19:0/i-16:0/a-13:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC(C)C
Compound: TG(i-19:0/i-16:0/a-13:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(C)C
Compound: TG(i-19:0/16:0/i-13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCC
Compound: TG(19:0/i-16:0/13:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC(C)C
Compound: TG(19:0/17:0/i-12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCCC
Compound: TG(19:0/17:0/12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCC
Compound: TG(i-19:0/17:0/12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCC
Compound: TG(i-19:0/i-17:0/i-12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCC(C)C
Compound: TG(i-19:0/i-17:0/12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCCCCC(C)C
Compound: TG(19:0/i-17:0/i-12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCC(C)C
Compound: xylitol
SMILES: OC[C@H](O)[C@@H](O)[C@H](O)CO
Compound: TG(i-19:0/17:0/i-12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCCCC
Compound: TG(19:0/i-17:0/12:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCCCCC(C)C
Compound: TG(19:0/a-17:0/i-12:0)[rac]
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC(CC)C
Compound: TG(i-19:0/a-17:0/12:0)[rac]
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC
Compound: TG(19:0/14:0/a-15:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(19:0/14:0/i-15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC
Compound: TG(19:0/14:0/15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(i-19:0/14:0/15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(i-19:0/i-14:0/i-15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCC(C)C
Compound: TG(i-19:0/14:0/a-15:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC
Compound: TG(i-19:0/i-14:0/15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCC(C)C
Compound: TG(19:0/i-14:0/i-15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCC(C)C
Compound: TG(19:0/i-14:0/a-15:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCC(C)C
Compound: TG(i-19:0/i-14:0/a-15:0)[rac]
SMILES: O([C@H](COC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCC(C)C
Compound: TG(i-19:0/14:0/i-15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCC
Compound: TG(19:0/i-14:0/15:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCC(C)C
Compound: TG(19:0/13:0/i-16:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCC
Compound: TG(19:0/13:0/16:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCC
Compound: TG(i-19:0/13:0/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(i-19:0/i-13:0/i-16:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCC(C)C
Compound: TG(i-19:0/i-13:0/16:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCC(C)C
Compound: TG(19:0/i-13:0/i-16:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C)C(=O)CCCCCCCCCC(C)C
Compound: TG(i-19:0/13:0/i-16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C
Compound: TG(19:0/10:0/i-19:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@@H](OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC
Compound: TG(19:0/19:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC
Compound: TG(i-19:0/10:0/19:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)C[C@H](OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC
Compound: TG(i-19:0/i-19:0/10:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC(C)C)[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC
Compound: TG(19:0/15:0/i-14:0)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C)C(=O)CCCCCCCCCCCCCC
Compound: TG(24:0/14:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(22:0/14:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: nicotinamide
SMILES: NC(=O)c1cccnc1
Compound: TG(22:0/16:0/14:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(20:0/18:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:0/16:0/16:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(20:0/14:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(20:0/14:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(18:0/16:1(9Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Compound: TG(18:0/14:1(9Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCC
Compound: TG(18:0/14:0/20:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:0/16:0/18:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(18:0/20:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:1(11Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/14:1(9Z)/22:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/22:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/20:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:0/18:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(16:0/14:0/22:1(13Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(16:0/20:1(11Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(15:0/22:1(13Z)/15:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(15:0/15:0/22:1(13Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCC
Compound: TG(14:0/20:1(11Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol
SMILES: N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@H]1O
Compound: TG(14:0/18:1(9Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/18:1(11Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/16:1(9Z)/22:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/14:1(9Z)/24:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/24:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(14:0/20:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/20:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(14:0/24:1(15Z)/14:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/22:1(13Z)/16:0)
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/18:0/20:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/16:0/22:1(13Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(14:0/14:0/24:1(15Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(14:0/22:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate
SMILES: O(C(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(18:0/16:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: 3-Hydroxy-9Z-octadecenoylcarnitine
SMILES: O([C@H]([N+](C)(C)C)CCC([O-])=O)C(=O)CC(O)CCCCC/C=C\CCCCCCCC
Compound: TG(22:0/14:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(20:0/16:0/14:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(20:0/14:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(18:0/14:1(9Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCC
Compound: methylglyoxal
SMILES: [H]C(=O)C(C)=O
Compound: TG(18:0/16:0/16:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(18:0/18:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:1(11Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/14:1(9Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: TG(16:0/20:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: TG(16:0/18:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(16:0/14:0/20:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(15:0/20:1(11Z)/15:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCCCC/C=C\CCCCCCCC
Compound: TG(15:0/15:0/20:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCC
Compound: TG(14:0/22:1(13Z)/14:0)
SMILES: O(C(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: (R)-carnitinamide
SMILES: C[N+](C)(C)C[C@H](O)CC(N)=O
Compound: TG(14:0/20:1(11Z)/16:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/18:1(9Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/18:1(11Z)/18:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/16:1(9Z)/20:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/14:1(9Z)/22:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCC
Compound: TG(14:0/20:0/16:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
Compound: TG(14:0/18:0/18:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: TG(14:0/18:0/18:1(11Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
Compound: TG(14:0/16:0/20:1(11Z))
SMILES: O([C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: TG(14:0/14:0/22:1(13Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: 17alpha-estradiol
SMILES: [H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21
Compound: TG(14:0/22:0/14:1(9Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Compound: Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
Compound: TG(18:0/14:0/18:1(9Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(18:0/14:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCC
Compound: TG(16:0/16:0/18:1(11Z))
SMILES: O([C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)C(=O)CCCCCCCCCCCCCCC
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe2(15:0/22:5(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)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/22:5(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)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN(C)C)(O)=O
Compound: O-demethylpuromycin
SMILES: CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@H]1O
Compound: PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)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-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: 2-oxooctadecanoate
SMILES: C(CCCCCCCC)CCCCCCCC(C([O-])=O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: S-methyl D-thioglycerate
SMILES: CSC(=O)[C@H](O)CO
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe(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)(OCCNC)(O)=O
Compound: PE-NMe2(15:0/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(15:0/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN(C)C)(O)=O
Compound: PE-NMe2(18:3(9Z,12Z,15Z)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)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)/15:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN(C)C)(O)=O
Compound: stachyose
SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Compound: PE-NMe(16:1(9Z)/18:2(9Z,12Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:0/18:3(9Z,12Z,15Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(16:0/18:3(6Z,9Z,12Z))
SMILES: P(OCC(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:1(9Z)/20:2(11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/20:3(8Z,11Z,14Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(14:0/20:3(5Z,8Z,11Z))
SMILES: P(OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:3(8Z,11Z,14Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:3(9Z,12Z,15Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: PE-NMe(18:3(6Z,9Z,12Z)/16:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE-NMe(18:2(9Z,12Z)/16:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: Photinus luciferin
SMILES: [H][C@@]1(CSC(=N1)c1nc2ccc(O)cc2s1)C(O)=O
Compound: PE-NMe(20:3(5Z,8Z,11Z)/14:0)
SMILES: P(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCNC)(O)=O
Compound: PE-NMe(20:2(11Z,14Z)/14:1(9Z))
SMILES: P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PE(20:3(8Z,11Z,14Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: PE(20:3(5Z,8Z,11Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PE(15:0/20:3(8Z,11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PE(15:0/20:3(5Z,8Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 3-methylarginine
SMILES: CC(CCNC(N)=N)C(N)C(O)=O
Compound: caryoynencin
SMILES: [H]C(\C=C\C#CC#CC#CC#C)=C([H])C(O)CCCCC(O)=O
Compound: promysalin
SMILES: CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)C1=CC=CC=C1O
Compound: quinolobactin
SMILES: COC1=CC(=NC2=C(O)C=CC=C12)C(O)=O
Compound: inuloxin A
SMILES: [H][C@@]12C[C@H](C)CCC(=O)\C(C)=C\C[C@]1([H])C(=C)C(=O)O2
Compound: beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Compound: beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
SMILES: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Compound: beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Compound: (2R)-2-hydroxyoctadecanoyl-CoA(4-)
SMILES: [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC([C@@H](CCCCCCCCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Compound: trichoxide
SMILES: [C@@H]1([C@@]2([C@]([C@@H](C(=C1CO)/C=C/C=C/C=C/CCCCC)O)(O2)[H])[H])O
Compound: (R)-lactaldehyde
SMILES: [H]C(=O)[C@@H](C)O
Compound: virensol A
SMILES: CCCCC\C=C\C=C\C=C\C1=C(CO)C(O)=CC=C1O
Compound: 5-deoxyaurocitrin
SMILES: C1(=CC=CC(=C1C=O)/C=C/C=C/C=C/CCCCC)O
Compound: (3R,5S,8E,10E,12E)-3,5,7-trihydroxynonadeca-8,10,12-trienal
SMILES: C(C[C@@H](C[C@@H](CC(/C=C/C=C/C=C/CCCC)O)O)O)(=O)C
Compound: dutomycin
SMILES: CCCC(C)\C=C(\C)C(=O)OC1C(C)OC(CC1(C)O)OC1CCC(OC2C(O)=C(C(C)=O)C(=O)C3(O)C(=O)C4=C(O)C5=C(C(C)=C4CC23O)C(=O)C(OC)=CC5=O)OC1C
Compound: Austalide G
SMILES: O1[C@@]2([C@@]([C@]([C@@]([C@H](OC(=O)C)C2)(C(O)(C)C)[H])(CCC(OC)=O)C)(CC3=C1C(=C4C(=C3OC)C(OC4)=O)C)[H])C
Compound: Tanabalin
SMILES: O1C[C@]23[C@@]([C@]([C@@H](CC2)C)(C[C@H](OC(=O)C)C=4C=COC4)C)(CCC=C3C1=O)[H]
Compound: Armillarin
SMILES: O[C@@]12[C@@]([C@@]3([C@@](CC(C3)(C)C)(C=C1C=O)[H])[H])(C[C@H]2OC(=O)C=4C(=CC(OC)=CC4O)C)C
Compound: Kanzonol T
SMILES: O1C(C=CC2=C1C=CC(C=3C(=O)C=4C(O)=C(CCC(O)(C)C)C(O)=CC4OC3)=C2O)(C)C
Compound: Kanzonol M
SMILES: O1CC(CC=2C1=C(C(O)=CC2OC)C=O)C3=C(O)C(=C(OC)C=C3)CC=C(C)C
Compound: 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid
SMILES: O(C(CCCCCCCC(O)=O)C(=O)\C=C\C(O)CCCCC)C
Compound: 5alpha-cholest-7-en-3beta-ol
SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
Compound: Valproylglycine
SMILES: O=C(NCC(O)=O)C(CCC)CCC
Compound: Bis(2-furanylmethyl) disulfide
SMILES: S(SCC=1OC=CC1)CC=2OC=CC2
Compound: Rigin
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)CN)CCC(=O)N
Compound: MG(0:0/22:1(13Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(CO)CO
Compound: 3beta-Hydroxy-22(30)-hopen-29-al
SMILES: O[C@@H]1C(C2[C@@](C3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)([C@@H](CC5)C(C=O)=C)[H])C)(CC3)[H])C)(CC2)C)(CC1)C)(C)C
Compound: Mosinone A
SMILES: O1C(CCC1C(O)CC/C=C\CCCCCCCCCC)C(O)CCCCCC(=O)CCCCC2OC(=O)C(C2)CC(=O)C
Compound: 7 alpha,24-Dihydroxy-4-cholesten-3-one
SMILES: OC1C2C3[C@@](C(CC3)[C@@H](CCC(O)C(C)C)C)(CCC2[C@@]4(C(C1)=CC(=O)CC4)C)C
Compound: 11-Hydroxyeicosatetraenoate glyceryl ester
SMILES: O(C(CO)CO)C(=O)CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC
Compound: 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al
SMILES: O[C@@H]1[C@]2([C@]([C@]3(C(C1)(C(CC3)C(=O)CO)C=O)[H])(CC[C@]4([C@@]2(CCC(=O)C4)C)[H])[H])[H]
Compound: Ginsenoyne A linoleate
SMILES: O1C(C1CC#CC#CC(OC(=O)CCCCCCC/C=C/C\C=C\CCCCC)C=C)CCCCCC=C
Compound: benzaldehyde
SMILES: O=Cc1ccccc1
Compound: DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: 3-Hydroxyhexadecadienoylcarnitine
SMILES: O([C@H]([N+](C)(C)C)CCC([O-])=O)C(=O)CC(O)CCCCC/C=C\C/C=C\CCC
Compound: Octyl phenylacetate
SMILES: O(CCCCCCCC)C(=O)CC1=CC=CC=C1
Compound: TG(15:0/20:0/18:3(6Z,9Z,12Z))
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid
SMILES: FC(F)(F)C=1C=2N=C(C=C(C2C=CC1)C(O)=O)C(F)(F)F
Compound: 6''-O-alpha-D-Galactopyranosylciceritol
SMILES: O([C@@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO
Compound: DG(18:1n9/0:0/18:2n6)
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC
Compound: (S)-[8]-Gingerol
SMILES: OC(CCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1
Compound: Thioxanthine monophosphate
SMILES: S=C1NC(=O)NC=2N(OP(O)(O)=O)C=NC21
Compound: 2-Phenylethyl octanoate
SMILES: O(C(=O)CCCCCCC)CCC1=CC=CC=C1
Compound: Repensol
SMILES: O1C2=C(C=3C1=CC(O)=CC3O)C(OC4=C2C=CC(O)=C4)=O
Compound: [2-(Dimethoxymethyl)-1-heptenyl]benzene
SMILES: O(C(OC)C(CCCCC)=CC1=CC=CC=C1)C
Compound: Lucernol
SMILES: O1C2=C(C3=C1C=C(O)C=C3)C(OC=4C2=CC(O)=C(O)C4)=O
Compound: TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 3-(8,11,14-Pentadecatrienyl)phenol
SMILES: OC=1C=C(CCCCCCC/C=C/C/C=C/CC=C)C=CC1
Compound: TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one
SMILES: ClC=1C=2CN3C(O)C(=O)NC3=NC2C=CC1Cl
Compound: TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Lucidenic acid K
SMILES: OC1C2(C(C3=C(C4(C(C(C(=O)CC4)(C)C)CC3=O)C)C1=O)(C(=O)CC2C(CCC(O)=O)C)C)C
Compound: TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: 2-Carboxy-4-dodecanolide
SMILES: O1C(CCCCCCCC)CC(C1=O)C(O)=O
Compound: TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Tanacetol B
SMILES: OC([C@]1(C[C@H](O)C(C[C@@H](OC(=O)C)C=C(CC1)C)=C)[H])(C)C
Compound: TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
SMILES: OC([C@@]1(CCC(=CCC[C@@](O)(C=C1)C)C)[H])(COC(=O)C)C
Compound: 4alpha,5alpha-Epoxy-11-eudesmen-3a-ol
SMILES: O1C23C1(C(O)CCC2(CCC(C3)C(C)=C)C)C
Compound: TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Quinidine barbiturate
SMILES: OC(C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(OC)=C4.O=C1NC(=O)NC(=O)C1(CC)C2=CC=CC=C2
Compound: 2'-deoxyguanosine
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1
Compound: 8-Hydroxypinoresinol 8-glucoside
SMILES: O(C12C(C(OC1)C3=CC(OC)=C(O)C=C3)COC2C4=CC(OC)=C(O)C=C4)C5OC(C(O)C(O)C5O)CO
Compound: Kentsin
SMILES: O=C(N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O)[C@H]1N(CCC1)C(=O)[C@@H](N)[C@H](O)C
Compound: 8-Hydroxypinoresinol 4-glucoside
SMILES: O1C(C2(O)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4
Compound: Muricin E
SMILES: O1[C@@](CC[C@H]1CCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)([C@@H](O)CCCCCC(O)C(O)CCCCCCC)[H]
Compound: (-)-Pyrifolidine
SMILES: O(C=1C=2N(C3C4(C5N(CC4)CCCC5(CC3)CC)C2C=CC1OC)C(=O)C)C
Compound: xi-5-Hydroxydodecanoic acid
SMILES: OC(CCCCCCC)CCCC(O)=O
Compound: Orange B
SMILES: S([O-])(=O)(=O)C=1C=2C(C(\N=N\C3=C(NN(C4=CC=C(S([O-])(=O)=O)C=C4)C3=O)C(OCC)=O)=CC1)=CC=CC2.[Na+].[Na+]
Compound: Kanzonol J
SMILES: O1C(CCC=2C1=CC=3OCC(CC3C2OC)C4=C5OC(C=CC5=C(O)C=C4)(C)C)(C)C
Compound: TG(14:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
SMILES: O(C(=O)CCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: 4,8,12,15-Octadecatetraenoic acid
SMILES: OC(=O)CC\C=C\CC/C=C/CC/C=C\C/C=C\CC
Compound: D-ribulose
SMILES: OC[C@@H](O)[C@@H](O)C(=O)CO
Compound: Koenoline
SMILES: O(C=1C=2NC=3C(C2C=C(C1)CO)=CC=CC3)C
Compound: Phenethyl decanoate
SMILES: O(C(=O)CCCCCCCCC)CCC1=CC=CC=C1
Compound: Mukoline
SMILES: O(C=1C=2NC3=C(C2C=CC1)C=C(C=C3)CO)C
Compound: (E,E)-11,13-Octadecadien-9-ynoic acid
SMILES: OC(=O)CCCCCCCC#C/C=C\C=C\CCCC
Compound: Calenduloside G methyl ester
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)C(OC)=O
Compound: 7-Hexadecenoic acid, methyl ester
SMILES: O(C(=O)CCCCCC=CCCCCCCCC)C
Compound: 9-Hydroxytridecyl docosanoate
SMILES: OC(CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCC
Compound: 2,4-Heptadecanedione
SMILES: O=C(CCCCCCCCCCCCC)CC(=O)C
Compound: Zucchini factor B
SMILES: O(C1C(C2C(C=3C(C4(C(C5C(CC4)(CCC(C5)(COC(=O)C6=CC=CC=C6)C)C)(CC3)C)C)=CC2)(CC1)C)(C)C)C(=O)C7=CC=C(N)C=C7
Compound: PE(20:2(11Z,14Z)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
SMILES: S(=O)(C/C=C/SSC)C
Compound: cerulenin
SMILES: [H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O
Compound: PE(24:1(15Z)/20:2(11Z,14Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: Methyl 4Z-octenoate
SMILES: O(C(=O)CC\C=C\CCC)C
Compound: Dihydrocycloartomunin
SMILES: O1C2=C(C(OC=3C2=CC(O)=C(O)C3)C=C(C)C)C(=O)C4=C1C(CC=C(C)C)=C(OC)C=C4O
Compound: cis-3-Hexenyl propanoate
SMILES: O(CC/C=C\CC)C(=O)CC
Compound: Tsuzuic acid
SMILES: OC(=O)CC/C=C\CCCCCCCCC
Compound: 6-Butyltetrahydro-2H-pyran-2-one
SMILES: O1C(CCCC1=O)CCCC
Compound: (S,S)-Nt-Histidinylalanine
SMILES: OC(=O)C(N)CN1C=C(N=C1)CC(N)C(O)=O
Compound: 2-Propenyl 2-ethylbutanoate
SMILES: O(C(=O)C(CC)CC)CC=C
Compound: guanidinoethyl methyl phosphate
SMILES: COP(O)(=O)OCCNC(N)=N
Compound: 7-Methyl-3-methylene-1,6,7-octanetriol
SMILES: OC(C(O)(C)C)CCC(CCO)=C
Compound: 2,4-Nonanedione
SMILES: O=C(CCCCC)CC(=O)C
Compound: (1R,2R,4S)-p-Menthane-1,2,8-triol
SMILES: OC1(C(O)CC(CC1)C(O)(C)C)C
Compound: Quercuslactone a
SMILES: O1C(C(CC1=O)C)CCCC
Compound: 2,6-Dimethyl-7-octene-2,3,6-triol
SMILES: OC(CCC(O)(C)C=C)C(O)(C)C
Compound: Isobutyl angelate
SMILES: O(CC(C)C)C(=O)/C(/C)=C\C
Compound: cis-p-Menthane-1,7,8-triol
SMILES: OC1(CCC(CC1)C(O)(C)C)CO
Compound: Methyl 3-Octenoate
SMILES: O(C(=O)C\C=C\CCCC)C
Compound: 2-Hexyl-1,3-dioxolane-4-methanol
SMILES: O1C(OCC1CO)CCCCCC
Compound: (E)-3-Heptenyl acetate
SMILES: O(CC\C=C\CCC)C(=O)C
Compound: (R)-3-Hydroxydecanoic acid
SMILES: O[C@H](CCCCCCC)CC(O)=O
Compound: 4-Oxononanal
SMILES: O=C(CCCCC)CCC=O
Compound: 2-Hexyl-1,3-dioxan-5-ol
SMILES: O1C(OCC(O)C1)CCCCCC
Compound: 6-Hydroxy-4,6-dimethyl-3-hepten-2-one
SMILES: OC(C/C(/C)=C\C(=O)C)(C)C
Compound: (1R,2R,4R,8R)-p-Menthane-2,8,9-triol
SMILES: OC1CC(CCC1C)C(O)(CO)C
Compound: (Z)-Oak lactone
SMILES: O1[C@@H]([C@@H](CC1=O)C)CCCC
Compound: (1S,2S,4R,8R)-p-Menthane-1,2,9-triol
SMILES: O[C@@]1([C@@H](O)C[C@@](CC1)([C@H](CO)C)[H])C
Compound: Hept-trans-2-en-1-yl acetate
SMILES: O(C\C=C\CCCC)C(=O)C
Compound: Tetracosahexaenoic acid, n-3
SMILES: OC(=O)CCCCC\C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Cyclohexyl propionate
SMILES: O(C1CCCCC1)C(=O)CC
Compound: cinnamyl alcohol
SMILES: OCC=Cc1ccccc1
Compound: Isobornyl isobutyrate
SMILES: O([C@H]1[C@]2(C([C@@](C1)(CC2)[H])(C)C)C)C(=O)C(C)C
Compound: 2-Propenyl hexanoate
SMILES: O(C(=O)CCCCC)CC=C
Compound: 5,8-Tetradecadienoic acid
SMILES: OC(=O)CCC/C=C/C\C=C\CCCCC
Compound: 3,4-Epoxynonanal
SMILES: O1C(C1CC=O)CCCCC
Compound: Neryl butyrate
SMILES: O(C/C=C(\CCC=C(C)C)/C)C(=O)CCC
Compound: Prenyl isobutyrate
SMILES: O(C(=O)C(C)C)CC=C(C)C
Compound: Linalyl isobutyrate
SMILES: O(C(CCC=C(C)C)(C)C=C)C(=O)C(C)C
Compound: 2-Hydroxy-2,6,6-trimethylcyclohexanone
SMILES: OC1(CCCC(C1=O)(C)C)C
Compound: alpha-Terpineol butanoate
SMILES: O(C(C1CCC(=CC1)C)(C)C)C(=O)CCC
Compound: Methyl 2-octenoate
SMILES: O(C(=O)\C=C\CCCCC)C
Compound: Bornyl butyrate
SMILES: O(C1C2(C(C(C1)CC2)(C)C)C)C(=O)CCC
Compound: (E)-2-Ethyl heptenoate
SMILES: O(C(=O)\C=C\CCCC)CC
Compound: Linalyl butyrate
SMILES: O(C(CCC=C(C)C)(C)C=C)C(=O)CCC
Compound: 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
SMILES: O=C(CCCCCCCCCCCC#C)CC(O)COC(=O)C
Compound: Geranyl 2-methylpropanoate
SMILES: O(C/C=C(\CCC=C(C)C)/C)C(=O)C(C)C
Compound: 2-Hydroxylauroylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)C(O)CCCCCCCCCC
Compound: Terpinyl isobutyrate
SMILES: O(C(C1CCC(=CC1)C)(C)C)C(=O)C(C)C
Compound: PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([O-])=O
Compound: Citronellyl propionate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)CC
Compound: Allyl undecylenate
SMILES: O(C(=O)CCCCCCCCC=C)CC=C
Compound: taurolithocholate
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Compound: Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
SMILES: O1C(C(O)C(O)C(O)C1OCC2=CC=CC=C2)COC3OC(C(O)C3O)CO
Compound: Rhodinyl propionate
SMILES: O(CCC(CCCC(C)=C)C)C(=O)CC
Compound: Ethyl 10-undecenoate
SMILES: O(C(=O)CCCCCCCCC=C)CC
Compound: Na-Hexanoyl-Nb-inosityltryptophan
SMILES: OC1C(N2C=3C(C(=C2)CC(NC(=O)CCCCC)C(O)=O)=CC=CC3)C(O)C(O)C(O)C1O
Compound: Coniferan
SMILES: O(C1C(C(CC)(C)C)CCCC1)C(=O)C
Compound: Aurantiumal
SMILES: O(C\C=C(\CCC(C)(C)C=O)/C)C=1C2=C(OC=C2)C=C3OC(=O)C=CC13
Compound: Epoxybergamottin
SMILES: O1C(C1CC/C(/C)=C/COC=2C3=C(OC=C3)C=C4OC(=O)C=CC24)(C)C
Compound: 1-Ethylhexyl tiglate
SMILES: O(C(CCCCC)CC)C(=O)/C(/C)=C/C
Compound: Isoxanthohumol
SMILES: O1C(CC(=O)C=2C1=C(CC=C(C)C)C(O)=CC2OC)C3=CC=C(O)C=C3
Compound: Methyl (E)-2-dodecenoate
SMILES: O(C(=O)\C=C\CCCCCCCCC)C
Compound: 3-hydroxypyruvate
SMILES: OCC(=O)C([O-])=O
Compound: Lansiumarin C
SMILES: O(C=1C=2OC=CC2C=C3C1OC(=O)C=C3)C\C=C(\CCC(O)C(C)=C)/C
Compound: 1,1-Diethoxy-2,6-nonadiene
SMILES: O(C(OCC)/C=C\CC/C=C\CC)CC
Compound: 4,6-Nonadecanedione
SMILES: O=C(CCCCCCCCCCCCC)CC(=O)CCC
Compound: TG(22:1(13Z)/22:1(13Z)/20:2n6)
SMILES: O([C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Compound: DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC)[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: 2-Cyclotetradecen-1-one
SMILES: O=C1CCCCCCCCCCCC=C1
Compound: DG(14:0/0:0/22:6n3)
SMILES: O(C(=O)CCCCCCCCCCCCC)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: (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one
SMILES: O=C(CC\C=C(\CCC(C(C)C)=C)/C)C
Compound: DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCC)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: Avocadyne 4-acetate
SMILES: O(C(CCCCCCCCCCCC#C)CC(O)CO)C(=O)C
Compound: 5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene
SMILES: CC(=O)OCCC#Cc1ccc(s1)-c1cccs1
Compound: 4-Acetoxy-2-hexyltetrahydrofuran
SMILES: O1C(CC(OC(=O)C)C1)CCCCCC
Compound: Avocadyne 2-acetate
SMILES: OC(CCCCCCCCCCCC#C)CC(OC(=O)C)CO
Compound: MG(0:0/18:3(6Z,9Z,12Z)/0:0)
SMILES: O(C(CO)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Compound: cis-3-Hexenyl hexanoate
SMILES: O(C(=O)CCCCC)CC/C=C\CC
Compound: 2-Hydroxymyristoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)C(O)CCCCCCCCCCCC
Compound: 5,5-Dibutyl-4,5-dihydro-2(3H)furanone
SMILES: O1C(CCC1=O)(CCCC)CCCC
Compound: PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: xi-5-Dodecanolide
SMILES: O1C(CCCCCCC)CCCC1=O
Compound: Norecasantalol
SMILES: OCCC1(C2(C3C2CC1C3)C)C
Compound: 2-Octenyl butyrate
SMILES: O(C/C=C\CCCCC)C(=O)CCC
Compound: 2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde
SMILES: O=CCC=1C(CCCC1C)(C)C
Compound: Hexyl 2E-hexenoate
SMILES: O(CCCCCC)C(=O)\C=C\CCC
Compound: 2-Hexylidenecyclopentanone
SMILES: O=C1\C(\CCC1)=C\CCCCC
Compound: Methyl 9-undecenoate
SMILES: O(C(=O)CCCCCCC/C=C/C)C
Compound: Limonene aldehyde
SMILES: O=CCC(C1CCC(=CC1)C)C
Compound: 2,6-Dimethyl-5-heptenal propyleneglycol acetal
SMILES: O1C(OCC1C)C(CCC=C(C)C)C
Compound: (-)-Nopol
SMILES: OCCC=1[C@]2(C([C@](C2)(CC1)[H])(C)C)[H]
Compound: cis-4-Decenyl acetate
SMILES: O(CCC/C=C\CCCCC)C(=O)C
Compound: Allyl nonanoate
SMILES: O(C(=O)CCCCCCCC)CC=C
Compound: PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)
SMILES: P(OCC[N+](C)(C)C)(OCC(O/C=C\CCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Compound: sanguinarine
SMILES: C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Compound: Hexyl 2-methyl-3-pentenoate
SMILES: O(CCCCCC)C(=O)C(C)/C=C/C
Compound: (Z)-3-Methyl-3-decenoic acid
SMILES: OC(=O)C/C(=C\CCCCCC)/C
Compound: 3-Heptyldihydro-5-methyl-2(3H)-furanone
SMILES: O1C(CC(CCCCCCC)C1=O)C
Compound: Cyclohexyl 3-methylbutanoate
SMILES: O(C1CCCCC1)C(=O)CC(C)C
Compound: 2-Hexenyl hexanoate
SMILES: O(C(=O)CCCCC)C\C=C\CCC
Compound: (Z)-3-Methyl-4-decenoic acid
SMILES: OC(=O)CC(/C=C\CCCCC)C
Compound: trans-2-Hexyl-1-cyclopropaneacetic acid
SMILES: OC(=O)CC1C(C1)CCCCCC
Compound: Ethyl 3-cyclohexylpropionate
SMILES: O(C(=O)CCC1CCCCC1)CC
Compound: [(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde
SMILES: O(CCC(CCC=C(C)C)C)CC=O
Compound: chlordecone alcohol
SMILES: [H]C1(O)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl
Compound: Cyclohexyl pentanoate
SMILES: O(C1CCCCC1)C(=O)CCCC
Compound: Hexyl 2-methyl-4-pentenoate
SMILES: O(CCCCCC)C(=O)C(CC=C)C
Compound: 5-Hexyldihydro-4-methyl-2(3H)-furanone
SMILES: O1C(C(CC1=O)C)CCCCCC
Compound: 7-Hexyl-2-oxepanone
SMILES: O1C(CCCCC1=O)CCCCCC
Compound: 2,3-Undecanedione
SMILES: O=C(CCCCCCCC)C(=O)C
Compound: PC(o-22:1(13Z)/20:4(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\CCCCC)COCCCCCCCCCCCC/C=C\CCCCCCCC)([O-])=O
Compound: 6-Hexyltetrahydro-2H-pyran-2-one
SMILES: O1C(CCCCCC)CCCC1=O
Compound: (1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one
SMILES: O1C2(C1C(O)C(C(OC(=O)C)C2=O)C(C(OC(=O)/C(/C)=C\C)CC=C(C)C)=C)C
Compound: 5-Hexyldihydro-5-methyl-2(3H)-furanone
SMILES: O1C(CCCCCC)(CCC1=O)C
Compound: Isobutyl 10-undecenoate
SMILES: O(C(=O)CCCCCCCCC=C)CC(C)C
Compound: 2,3,5-trihydroxytoluene
SMILES: Cc1cc(O)cc(O)c1O
Compound: PE(22:1(13Z)/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: Citronellyl pentanoate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)CCCC
Compound: Squamone
SMILES: O1C(CCC1C(O)CCCCCC(=O)CCCCC2OC(=O)C(C2)CC(=O)C)C(O)CCCCCCCCCCCC
Compound: Citronellyl isovalerate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)CC(C)C
Compound: cis-Annonacin-10-one
SMILES: O1C(CCC1C(O)CCCCC(=O)CCCCCC(O)CC2=C(COC2=O)C)C(O)CCCCCCCCCCCC
Compound: Rhodinyl isovalerate
SMILES: O(CCC(CCCC(C)=C)C)C(=O)CC(C)C
Compound: Reticulacinone
SMILES: O1C(CCC1C(O)CCCC(=O)CCCCCCC(O)CC2=CC(OC2=O)C)C(O)CCCCCCCCCCCC
Compound: 3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
SMILES: OC1=C(C(C)C)C=C(C2=CC(C(C)C)=C(O)C(O)=C2C)C(=C1O)C
Compound: Mosin C
SMILES: O1[C@@](CC[C@@]1([C@H](O)CCCCCC(=O)CCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)[H])([C@@H](O)CCCCCCCCCCCC)[H]
Compound: 7-Epi-12-hydroxyjasmonic acid glucoside
SMILES: O1C(C(O)C(O)C(O)C1OCC\C=C\CC2C(CCC2=O)CC(O)=O)CO
Compound: 3-(L-Menthoxy)-2-methylpropane-1,2-diol
SMILES: O([C@H]1[C@@H](CC[C@H](C1)C)C(C)C)CC(O)(CO)C
Compound: Rhodinyl isobutyrate
SMILES: O(CCC(CCCC(C)=C)C)C(=O)C(C)C
Compound: xi-Tetrahydro-3-nonyl-2H-pyran-2-one
SMILES: O1C(=O)C(CCCCCCCCC)CCC1
Compound: Ethyl 3-hydroxydodecanoate
SMILES: OC(CCCCCCCCC)CC(OCC)=O
Compound: 2-Hexenyl octanoate
SMILES: O(C(=O)CCCCCCC)C\C=C\CCC
Compound: Mammeigin
SMILES: O1C(C=CC=2C1=C(C(O)=C3C2OC(=O)C=C3C4=CC=CC=C4)C(=O)CC(C)C)(C)C
Compound: 14,15-Epoxy-5,8,11-eicosatrienoic acid
SMILES: O1C(C1CC=CCC=CCC=CCCCC(O)=O)CCCCC
Compound: Citronellyl isobutyrate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)C(C)C
Compound: 11,12-Epoxyeicosatrienoic acid
SMILES: O1C(C1C/C=C/C/C=C/CCCC(O)=O)C/C=C/CCCCC
Compound: Rhodinyl butyrate
SMILES: O(CCC(CCCC(C)=C)C)C(=O)CCC
Compound: LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))
SMILES: P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO)(OCCN)(O)=O
Compound: Citronellyl butyrate
SMILES: O(CCC(CCC=C(C)C)C)C(=O)CCC
Compound: 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside
SMILES: O1C(C(O)C(O)C(O)C1OCC(OC2=C(OC)C=C(CCCO)C=C2)CO)CO
Compound: Ethyl (E)-2-dodecenoate
SMILES: O(C(=O)\C=C\CCCCCCCCC)CC
Compound: Garcinone B
SMILES: O1C(C=CC=2C3=C(OC4=C(C3=O)C(O)=C(C(O)=C4)CC=C(C)C)C=C(O)C12)(C)C
Compound: Butyl 2-decenoate
SMILES: O(CCCC)C(=O)\C=C\CCCCCCC
Compound: ent-16b,19-Kauranediol 19-acetate
SMILES: OC1(C2CC3(C(C4(C(CC3)C(CCC4)(COC(=O)C)C)C)CC2)C1)C
Compound: delta-Tetradecalactone
SMILES: O1C(CCCCCCCCC)CCCC1=O
Compound: Tridecyl phloretate
SMILES: O(CCCCCCCCCCCCC)C(=O)CCC1=CC=C(O)C=C1
Compound: 1-Methyl-3-(2-thiazolyl)-1H-indole
SMILES: S1C(=NC=C1)C=2C=3C(N(C2)C)=CC=CC3
Compound: 1,2-Dimethyl-4-(6-methyl-4-heptenyl)-1,3-cyclohexadiene
SMILES: C=1(CCC(=C(C1)C)C)CCC/C=C/C(C)C
Compound: Sterebin E
SMILES: OC1C2C(C(C(O)(C1O)C)/C=C/C(/C)=C\CO)(CCCC2(C)C)C
Compound: Ambronide
SMILES: O1C2(C(C3(C(C(CCC3)(C)C)CC2)C)CC1)C
Compound: Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CC/C(/C(C)C)=C\C)C)(CC3)C)CC2)(CC1)C)C5OC(C(O)C(O)C5O)COC(=O)CCCCCCC/C=C/CCCCCCCC
Compound: 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol
SMILES: OC1CC(C2C3C(C(C(C3)C2)(C)C)C)CCC1
Compound: Apo-12'-violaxanthal
SMILES: O1C2(C1(CC(O)CC2(C)C)C)/C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(\C)/C=O
Compound: Purpurenin
SMILES: O1[C@@]([C@@]2(O[C@](CC2)([C@@H](O)CCCC[C@@H](O)CCCCC)[H])[H])(CC[C@@]1([C@H](O)CCCC[C@H](O)CCCCCCCC3=C[C@@H](OC3=O)C)[H])[H]
Compound: Acrimarine N
SMILES: O(C1=C(C(C2=C(OC)C=C3OC(=O)C=CC3=C2)C=C(C)C)C(O)=C4C(N(C5=C(C4=O)C=CC(OC)=C5OC)C)=C1)C
Compound: Rollimusin
SMILES: O1[C@@]([C@@]2(O[C@](CC2)([C@@H](O)CCCC(O)CCCCCC)[H])[H])(CC[C@@]1([C@H](O)CCCCC(O)CCCCCCCC3=CC(OC3=O)C)[H])[H]
Compound: (+)-Quebrachidine
SMILES: O[C@H]1C23C(NC=4C2=CC=CC4)[C@]5(N6C(C1(C(C5)/C(/C6)=C\C)C(OC)=O)C3)[H]
Compound: 2,5-dihydroxybenzoic acid
SMILES: OC(=O)c1cc(O)ccc1O
Compound: Epi-coprostanol
SMILES: O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]
Compound: Tricycloekasantalol
SMILES: OCCCC1(C2(C3C2CC1C3)C)C
Compound: Nb-Tricosanoyltryptamine
SMILES: O=C(NCCC=1C=2C(NC1)=CC=CC2)CCCCCCCCCCCCCCCCCCCCCC
Compound: 2-trans-6-cis-Dodecadienal
SMILES: O=C\C=C\CC/C=C\CCCCC
Compound: MG(22:1(13Z)/0:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](O)CO
Compound: Homodihydrojasmone
SMILES: O=C1C(CCCCCC)=C(CC1)C
Compound: cis-Quinceoxepane
SMILES: O1C(CC(CCC1)C)/C=C\C(C)=C
Compound: 5-hydroxypropafenone
SMILES: O(CC(O)CNCCC)C1=C(C(=O)CCC2=CC=CC=C2)C=C(O)C=C1