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4-Hydroxy-2-quinolinecarboxylic acid

View entire compound with spectra: 12 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 5 MS (GC)

4-Hydroxy-2-quinolinecarboxylic acid
SpectraBase Compound ID KatplazUoES
InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C10H7NO3
Exact Mass 189.042593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QLJIrVfU46
Name Kynurenic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 13593-94-7; 492-27-3
ChEBI ID 18344
Comments 100 mM Kynurenic acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10 H7 N O3
IUPAC Name 4-oxo-1H-quinoline-2-carboxylic acid; 4-keto-1H-quinoline-2-carboxylic acid
InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
KEGG Compound ID C01717
KEGG Pathways PATH: ko00380 Tryptophan metabolism
PubChem Compound ID 3845
SMILES C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
Source File Reference bmse000410