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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:04:14 UTC
Update Date2025-03-24 21:54:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01929542
Frequency0.6
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESO=C1NC2CCC1C2=O
InChI KeyJSQQXQLVABMFNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinones
Direct Parent piperidinones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • 3-pyrrolidone
  • carboxylic acid derivative
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • carboxamide group
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound