Mid002789: 8-Methoxykynurenate
Metabolite Information
Name
8-Methoxykynurenate
IUPAC Name
8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
Molecular Formula
C11H9NO4
Molecular Weight
219.19
Exact Mass
219.0531578
SMILES
COC1=CC=CC2=C1NC(=CC2=O)C(=O)O
InChIKey
BXZSKDOPGDPDEG-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
Other Databases Link
kegg_C05830
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Quinolines and derivatives
Subclass:
Quinoline carboxylic acids
Species containing this metabolite
| Coptis chinensis |
Metabolite Spectrum Accession Label