kynurate

Chemical Formula:

C₁₁H₁₀NO₄

Molecular Weight:

220.204 Daltons

Monoisotopic Mass:

221.0688078467 Daltons

SMILES:

[CH](=O)NC1(C=CC=CC(C(CCC(=O)[O-])=O)=1)

InChI:

1S/C11H11NO4/c13-7-12-9-4-2-1-3-8(9)10(14)5-6-11(15)16/h1-4,7H,5-6H2,(H,12,13)(H,15,16)/p-1

InChIKey:

WREZIFMYXDIZJT-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-21501

PubChem (CID): 86332304