Browse Metabolites / cauliflower (Brassica oleracea Botrytis Group)
A total of 170 metabolites have been identified from cauliflower (Brassica oleracea Botrytis Group)
ID
molecular formula
molecular weight
SMILES
Met008948
C34H42O19
754.7
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(OC(C(C2O)O)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)O)OC)CO)CO
ID
molecular formula
molecular weight
SMILES
Met000559
C10H16N2O7
276.24
CC(=O)NC(CCC(C(C(=O)O)N)C(=O)O)C(=O)O
ID
molecular formula
molecular weight
SMILES
Met002309
C10H14O4
198.22
CC1=C2CCC(C(C2OC1=O)O)(C)O
ID
molecular formula
molecular weight
SMILES
Met009972
C13H16O9
316.26
C1=CC(=C(C=C1C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
ID
molecular formula
molecular weight
SMILES
Met006003
C14H22N2O16P2
536.28
C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met003140
C18H30O4
310.4
CCCCCC1C(O1)C=CC(=O)CCCCCCCC(=O)O
ID
molecular formula
molecular weight
SMILES
Met004509
C21H16O7
380.3
COC1=C(C(=C2C3=C(OC(=CC3=O)C=CC4=CC=CC=C4)OC2=C1OC)O)O
ID
molecular formula
molecular weight
SMILES
Met008565
C17H18O9
366.3
C1=COC2=CC(=C(C=C21)C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
ID
molecular formula
molecular weight
SMILES
Met007161
C11H19N3O7
305.28
CC(C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)N)O
ID
molecular formula
molecular weight
SMILES
Met009209
C15H24N3O7S-
390.4
CC(CO)(C=C)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]