Browse Metabolites / asparagus (Asparagus officinalis)
A total of 172 metabolites have been identified from asparagus (Asparagus officinalis)
ID
molecular formula
molecular weight
SMILES
Met005552
C31H54O5
506.8
CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CCC(C(C)(C)O)O
ID
molecular formula
molecular weight
SMILES
Met004740
C33H40O21
772.7
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met008897
C18H16N2O
276.3
CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)C
ID
molecular formula
molecular weight
SMILES
Met008830
C10H12N2O4
224.21
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
ID
molecular formula
molecular weight
SMILES
Met009940
C44H50O25
978.9
COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met000001
C40H54O3
582.9
CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(C(CC2(C)C)O)O)C)C)C
ID
molecular formula
molecular weight
SMILES
Met004742
C6H14N4O2
174.2
C(CC(C(=O)O)N)CN=C(N)N
ID
molecular formula
molecular weight
SMILES
Met009713
C16H20O9
356.32
CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
ID
molecular formula
molecular weight
SMILES
Met006608
C9H16N2O5S
264.3
CC(=O)NC(CSCCC(C(=O)O)N)C(=O)O
ID
molecular formula
molecular weight
SMILES
Met000740
C10H17N3O6S
307.33
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N