Mid0002: Trigonelline


Name
Trigonelline
IUPAC Name
1-methylpyridin-1-ium-3-carboxylate
Molecular Formula
C7H7NO2
Molecular Weight
137.14
Exact Mass
137.0476785
SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
Other Databases Link
CAS:535-83-1
KEGG:C01004
Structure
Classification
Alkaloids
Crops containing this metabolite
maize
soy
cassava
wheat
rice
astragalus
Related MS2T Accessions