Browse Metabolites / broccoli (Brassica oleracea Italica Group)
A total of 233 metabolites have been identified from broccoli (Brassica oleracea Italica Group)
ID
molecular formula
molecular weight
SMILES
Met004754
C16H20N2O9S2
448.5
C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O
ID
molecular formula
molecular weight
SMILES
Met003308
C13H18O8
302.28
COC1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O
ID
molecular formula
molecular weight
SMILES
Met001791
C34H42O23
818.7
COC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met000602
C26H50NO7P
519.7
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
ID
molecular formula
molecular weight
SMILES
Met007202
C9H13NO8
263.2
C1C(NC(=O)C1(C2(C(C(CO2)O)O)O)O)C(=O)O
ID
molecular formula
molecular weight
SMILES
Met005225
C23H30O14
530.5
COC1=C(C=CC(=C1)C(=O)OC2C3CC4OCC(C3C(O4)OC5C(C(C(C(O5)CO)O)O)O)(C2O)O)O
ID
molecular formula
molecular weight
SMILES
Met003855
C23H39NO6
425.6
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)NC(CO)CO)O)O
ID
molecular formula
molecular weight
SMILES
Met007314
C15H20N4O8S
416.4
C1C(=C(N2C(S1)C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)CO
ID
molecular formula
molecular weight
SMILES
Met006454
C23H42NO7P
475.6
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN
ID
molecular formula
molecular weight
SMILES
Met007431
C33H24O8
548.5
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O