RefMet Compound Details

RefMet IDRM0044554
MW structure78519 (View MW Metabolite Database details)
RefMet name4-Hydroxyphenyllactic acid   Species distribution   Sample source distribution
Systematic name2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESc1cc(ccc1CC(C(=O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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)
InChIKeyJVGVDSSUAVXRDY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID9378
ChEBI ID17385
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo