RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0049957
RefMet nameHomoveratric acid
Systematic name2-(3,4-dimethoxyphenyl)acetic acid
SynonymsPubChem Synonyms
Exact mass196.073560 (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
FormulaC10H12O4View other entries in RefMet with this formula
Molecular descriptors
Molfile37248 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyWUAXWQRULBZETB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1ccc(cc1OC)CC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Distribution of Homoveratric acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Homoveratric acid
External Links
Pubchem CID7139
ChEBI ID86655
HMDB IDHMDB0000434
Chemspider ID6872
PhytoHub DBPHUB000618
Spectral data for Homoveratric acid standards
BMRB ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo