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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:05 UTC
Update Date2025-03-21 17:58:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017719
Frequency236.5
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCC(C(=O)O)c1ccc(CC(C)(O)C(=O)O)cc1
InChI KeyRDDJEIOKJNIYLD-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 acids and derivatives
  • aromatic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • tertiary alcohols
    • Substituents
  • alcohol
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alpha-hydroxy acid
  • p-cymene
  • hydroxy acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid