RefMet Compound Details

MW structure37234 (View MW Metabolite Database details)
RefMet name2-Pyrocatechuic acid
Systematic name2,3-dihydroxybenzoic acid
SMILESO=C(O)c1cccc(O)c1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass154.026610 (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
FormulaC7H6O4View other entries in RefMet with this formula
InChIKeyGLDQAMYCGOIJDV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID19
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)