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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:12 UTC
Update Date2025-03-21 18:39:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125139
Frequency20.5
Structure
Chemical FormulaC13H14O5
Molecular Mass250.0841
SMILESCC(C(=O)O)c1ccc(CCC(=O)C(=O)O)cc1
InChI KeyCDJCCQSCCAPBSC-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
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • keto acid
  • alpha-keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid