RefMet Compound Details

MW structure37383 (View MW Metabolite Database details)
RefMet nameKynurenic acid
Systematic name4-oxo-1,4-dihydroquinoline-2-carboxylic acid
SMILESc1ccc2c(c1)c(cc(C(=O)O)n2)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass189.042594 (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
FormulaC10H7NO3View other entries in RefMet with this formula
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassAnthranilic acid alkaloids
Sub ClassAcridone alkaloids
Pubchem CID3845
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)