RefMet Compound Details

MW structure37226 (View MW Metabolite Database details)
RefMet name3-(3-Hydroxyphenyl)propanoic acid
Systematic name3-(3-hydroxyphenyl)propanoic acid
SMILESOc1cccc(CCC(O)=O)c1
Sum Composition3-(3-Hydroxyphenyl)propanoic acid View other entries in RefMet with this sum composition
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
InChIInChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChIKeyQVWAEZJXDYOKEH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenylpropanoids
Sub ClassPhenylpropanoic acids
Pubchem CID91
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo