RefMet Compound Details

MW structure37271 (View MW Metabolite Database details)
RefMet nameVanillic acid
Systematic name4-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(ccc1O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass168.042260 (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
FormulaC8H8O4View other entries in RefMet with this formula
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassMethoxybenzoic acids
Pubchem CID8468
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)