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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:49 UTC
Update Date2025-03-25 00:51:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187238
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESCC(=O)Nc1ccccc1C(=O)CC(C)O
InChI KeyPOSSVYWKXGBIOU-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
  • acetamides
  • acetanilides
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-hydroxy ketones
  • butyrophenones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • n-acetylarylamine
  • benzoyl
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • alcohol
  • vinylogous amide
  • acetanilide
  • carboxamide group
  • butyrophenone
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone