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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:36 UTC
Update Date2025-03-21 18:36:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109383
Frequency24.4
Structure
Chemical FormulaC13H16O5
Molecular Mass252.0998
SMILESCC(CO)Cc1ccc(C(C(=O)O)C(=O)O)cc1
InChI KeyIQSWDHNEZREXBD-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
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • primary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organooxygen compound
  • aromatic monoterpenoid