RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0188044
RefMet name8-Methoxykynurenic acid
Systematic name8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
SynonymsPubChem Synonyms
Exact mass219.053158 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC11H9NO4View other entries in RefMet with this formula
Molecular descriptors
Molfile67939 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyBXZSKDOPGDPDEG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cccc2c(=O)cc(C(=O)O)[nH]c12
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassAnthranilic acid alkaloids
Sub ClassAcridone alkaloids
Distribution of 8-Methoxykynurenic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 8-Methoxykynurenic acid
External Links
Pubchem CID76230
KEGG IDC05830
HMDB IDHMDB0060426
EPA CompToxDTXCID80219077
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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