RefMet Compound Details

MW structure46190 (View MW Metabolite Database details)
RefMet name3-(2-Hydroxyphenyl)propanoic acid
Systematic name3-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccccc1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass166.062995 (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
FormulaC9H10O3View other entries in RefMet with this formula
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID873
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)