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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:00 UTC
Update Date2025-03-21 18:36:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112773
Frequency23.5
Structure
Chemical FormulaC14H20O2
Molecular Mass220.1463
SMILESCC(C(=O)O)c1cccc(CC(C)(C)C)c1
InChI KeyZORYNVNMZKIVBA-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
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound