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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:45 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166481
Frequency0.5
Structure
Chemical FormulaC12H14N2O3
Molecular Mass234.1004
SMILESCC(=O)Nc1ccc(N2CCC(O)C2=O)cc1
InChI KeyXUFHJGCZCGWZLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • 1-phenylpyrrolidine
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • acetamide
  • alcohol
  • azacycle
  • acetanilide
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound