RefMet Compound Details

MW structure50341 (View MW Metabolite Database details)
RefMet nameHydroxyphenyllactic acid
Systematic name2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESOc1ccc(C[C@@H](O)C(O)=O)cc1
Exact mass182.057910 (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
FormulaC9H10O4View other entries in RefMet with this formula
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyJVGVDSSUAVXRDY-MRVPVSSYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenylpropanoids
Sub ClassPhenylpropanoic acids
Pubchem CID440177
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo