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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:34:03 UTC
Update Date2025-03-21 17:56:28 UTC
HMDB IDHMDB0133617
Metabolite Identification
DeepMet IDDMID00001609
Name2-methyl-3-phenylpropanoic acid
Frequency3689.0
Structure
Chemical FormulaC10H12O2
Molecular Mass164.0837
SMILESCC(Cc1ccccc1)C(=O)O
InChI KeyMCIIDRLDHRQKPH-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound