Met001235: Trigonelline
Metabolite Information
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
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Alkaloids and derivatives
Class:
NA
Subclass:
NA
Crops containing this metabolite
astragalus
cassava
maize
medicago
rice
soybean
wheat
morus
leonurus
sugar_maple
cassava
maize
medicago
rice
soybean
wheat
morus
leonurus
sugar_maple
Metabolite Spectrum Accession Label