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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:26 UTC
Update Date2025-03-25 00:49:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172595
Frequency0.5
Structure
Chemical FormulaC13H16O4
Molecular Mass236.1049
SMILESCCCC(=O)c1ccc(O)c(CCC(=O)O)c1
InChI KeyPJAKKTBWQUDKKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanoic acids
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone