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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:06 UTC
Update Date2025-03-21 18:36:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112990
Frequency23.4
Structure
Chemical FormulaC12H16O3
Molecular Mass208.1099
SMILESCC(C)c1ccc(C(O)CC(=O)O)cc1
InChI KeyDMYGEWVOWDVKKZ-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
  • aromatic alcohols
  • aromatic monoterpenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cumenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • p-cymene
  • hydroxy acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid