Browse Metabolites / herba leonuri (Leonurus japonicus)
A total of 1405 metabolites have been identified from herba leonuri (Leonurus japonicus)
ID
molecular formula
molecular weight
SMILES
Met003473
C4H6O3
102.09
C(CC(=O)O)C=O
ID
molecular formula
molecular weight
SMILES
Met000556
C4H6O3
102.09
CC(C=O)C(=O)O
ID
molecular formula
molecular weight
SMILES
Met006059
C3H6O4
106.08
C(C(C(=O)O)O)O
ID
molecular formula
molecular weight
SMILES
Met006566
C7H6O
106.12
C1=CC=C(C=C1)C=O
ID
molecular formula
molecular weight
SMILES
Met000270
C8H8
104.15
C1CC2=CC=CC=C21
ID
molecular formula
molecular weight
SMILES
Met002905
C56H85NO17S
1076.3356
C12OC(C(C(C1)O)O)CCCC(=C)CC(O)C1C(C(C(O1)CC(=O)OC1/C=C(/C(C3OC(CCC(/C=C/C(=C/CCC4=NCCC5C4(C(C=C(C2)C5)/C(=C/CC(C1)C)/C)C)/C)O)C(C(C3)O)O)O)\C)OS(=O)(=O)O)O
ID
molecular formula
molecular weight
SMILES
Met000159
C6H5O2-
109.1
C1=CC=C(C(=C1)O)[O-]
ID
molecular formula
molecular weight
SMILES
Met009745
C8H10
106.16
CCC1=CC=CC=C1
ID
molecular formula
molecular weight
SMILES
Met005779
C5H4O3
111.08
C1=COC(=C1)C(=O)[O-]
ID
molecular formula
molecular weight
SMILES
Met007885
C5H6O3
114.1
CC1=C(C(=O)CO1)O