Browse Metabolites / grape (Vitis vinifera)
A total of 160 metabolites have been identified from grape (Vitis vinifera)
ID
molecular formula
molecular weight
SMILES
Met003487
C20H33FO3
340.5
CC12CCC(CC1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F)O
ID
molecular formula
molecular weight
SMILES
Met003965
C16H12O3
252.26
CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
ID
molecular formula
molecular weight
SMILES
Met003093
C24H24O12
504.4
CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met000890
C22H24O10
448.4
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)OC
ID
molecular formula
molecular weight
SMILES
Met006976
C18H32O3
296.4
CC(=CCCC(=O)C)CCC1C(C(CCC1(C)O)O)(C)C
ID
molecular formula
molecular weight
SMILES
Met002312
C30H31NO10
565.6
CC1=CCCC(C12CC3=C4C2=C(C=C(C4=C(C5=C3C(C6(CC(=O)C(=C(C6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C
ID
molecular formula
molecular weight
SMILES
Met002562
C14H14O9
326.25
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(C(=O)O)C(=O)O
ID
molecular formula
molecular weight
SMILES
Met009405
C12H22O11
342.3
C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met007986
C11H22N5O6P
351.3
C(CC(C(=O)NC(C=CCP(=O)(O)O)C(=O)O)N)CN=C(N)N
ID
molecular formula
molecular weight
SMILES
Met000372
C23H44NO7P
477.6
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O