RefMet Compound Details

MW structure37458 (View MW Metabolite Database details)
RefMet nameQuinaldic acid
Systematic namequinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2n1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass173.047679 (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
FormulaC10H7NO2View other entries in RefMet with this formula
InChIKeyLOAUVZALPPNFOQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassAnthranilic acid alkaloids
Sub ClassAcridone alkaloids
Pubchem CID7124
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)