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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:49 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161989
Frequency0.5
Structure
Chemical FormulaC13H14N2O2
Molecular Mass230.1055
SMILESC=CC1=C(C)C(=CC=C2CCC(=O)N2)NC1=O
InChI KeyBLEFVTIJLNHALL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound