RefMet Compound Details

MW structure46190 (View MW Metabolite Database details)
RefMet name3-(2-Hydroxyphenyl)propanoic acid
Systematic name3-(2-hydroxyphenyl)propanoic acid
Canonical SMILESOc1ccccc1CCC(O)=O
Exact mass166.0630View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H10O3View other entries in RefMet with this formula
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenylpropanoids
Sub ClassPhenylpropanoic acids
Pubchem CID873
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