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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:04 UTC
Update Date2025-03-25 01:00:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244957
Frequency0.5
Structure
Chemical FormulaC13H16O4
Molecular Mass236.1049
SMILESCCOC(=O)c1ccc(C(C)C)cc1C(=O)O
InChI KeyVVTZHFYONFWURD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acid esters
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acid esters
  • cumenes
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
    • Substituents
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • benzoate ester
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound
  • aromatic monoterpenoid