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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:40 UTC
Update Date2025-03-25 00:46:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155060
Frequency0.5
Structure
Chemical FormulaC16H22O4
Molecular Mass278.1518
SMILESCc1ccc(C(C)C)c(C(=O)O)c1C(=O)OCC(C)C
InChI KeyQGDSUEGTCJZSTM-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
  • toluenes
    • 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
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid