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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:47 UTC
Update Date2025-03-21 18:28:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071216
Frequency42.2
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCN1C(=O)CCC1C(=O)c1ccccc1
InChI KeyOIFDAZHCYMMKKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • lactam
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone