RefMet Compound Details

MW structure37226 (View MW Metabolite Database details)
RefMet name3-(3-Hydroxyphenyl)propanoic acid
Systematic name3-(3-hydroxyphenyl)propanoic acid
SMILESc1cc(CCC(=O)O)cc(c1)O   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
InChIKeyQVWAEZJXDYOKEH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID91
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)