Browse metabolite list
The metabolite list contains identified metabolites from all available crops in this database.
molecular formula
molecular weight
(canonical)SMILES
Crop species
C6H7NO
109.13
C1=CC(=CN=C1)CO
cassava
molecular formula
molecular weight
(canonical)SMILES
Crop species
C15H18N6O
298.34
CN1C=NC2=C1C(=NC(=N2)NCCO)NCC3=CC=CC=C3
astragalus
molecular formula
molecular weight
(canonical)SMILES
Crop species
C20H34O3
322.5
CCCCCC(=O)C=CC=CCCCCCCCCCC(=O)O
miltiorrhiza
molecular formula
molecular weight
(canonical)SMILES
Crop species
C7H11NO3
157.17
CC(=O)N1CCCC1C(=O)O
medicago
molecular formula
molecular weight
(canonical)SMILES
Crop species
C28H19P
386.4
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3
leonurus
molecular formula
molecular weight
(canonical)SMILES
Crop species
C26H28N4O2
428.5
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4
astragalus
molecular formula
molecular weight
(canonical)SMILES
Crop species
C25H21ClN2O
400.9
CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)N)C(=O)C4=CC=CC=C4
leonurus
molecular formula
molecular weight
(canonical)SMILES
Crop species
C18H16O5
312.3
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC
medicago
molecular formula
molecular weight
(canonical)SMILES
Crop species
C30H30O7
502.6
COC1=CC=C(C=C1)C=CCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O
miltiorrhiza
molecular formula
molecular weight
(canonical)SMILES
Crop species
C22H35NO3
361.5
CCCCCC=CCC(C=CC1=CC=CC(=N1)CC(CCCCO)O)O
astragalus
10180 records, 1018 pages in total