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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:37:00 UTC
Update Date2025-03-21 17:57:32 UTC
HMDB IDHMDB0142175
Metabolite Identification
DeepMet IDDMID00008468
Name2-benzylpropanedioic acid
Frequency578.9
Structure
Chemical FormulaC10H10O4
Molecular Mass194.0579
SMILESO=C(O)C(Cc1ccccc1)C(=O)O
InChI KeyJAEJSNFTJMYIEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • benzene and substituted derivatives
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • organooxygen compound