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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:26 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177231
Frequency0.5
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCc1ccc(NC=O)c(C(=O)C(C)C)c1
InChI KeyZKSYLTVBSSPYES-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
  • anilides
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenylpropanes
  • secondary carboxylic acid amides
  • toluenes
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • n-arylamide
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • alkyl-phenylketone