Xanthurenic acid

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Systematic / IUPAC Name: 4,8-Dihydroxy-quinoline-2-carboxylic acid

ID: Reference789

Other Names: 8-Hydroxykynurenic acid;
4,8-Dihydroxyquinaldic acid;
Quinaldic acid, 4,8-dihydroxy-;
8-Hydroxykynurenate;
Quinoline-2-carboxylic acid, 4,8-dihydroxy- ; more

Formula: C10H7NO4

Class: Endogenous Metabolites

Spectral Data

Xanthurenic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 418
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 11:45:17 AM
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Identificators

InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChI Key FBZONXHGGPHHIY-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
CAS 59007
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Other Names 8-Hydroxykynurenic acid;
4,8-Dihydroxyquinaldic acid;
Quinaldic acid, 4,8-dihydroxy-;
8-Hydroxykynurenate;
Quinoline-2-carboxylic acid, 4,8-dihydroxy-;
8-Hydroxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid;
Xanthurate

In Other Databases

ChemIDPlus 000059007
ChEMBL CHEMBL312535
ChEBI CHEBI:10072
KEGG C02470
HMDb HMDB00881
PubChem 5699
Wikipedia Xanthurenic acid
ChemSpider 5497