Met005137: Isonicotinic acid
Metabolite Information
Name
Isonicotinic acid
IUPAC Name
pyridine-4-carboxylic acid
Molecular Formula
C6H5NO2
Molecular Weight
123.11
Exact Mass
123.0320284
SMILES
C1=CN=CC=C1C(=O)O
InChIKey
TWBYWOBDOCUKOW-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pyridines and derivatives
Subclass:
Pyridinecarboxylic acids and derivatives
Crops containing this metabolite
astragalus
maize
medicago
rice
wheat
maize
medicago
rice
wheat
Metabolite Spectrum Accession Label