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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:40 UTC
Update Date2025-03-25 00:52:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195863
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCC12CCN3C(=O)CCC3C1CCC2=O
InChI KeyXPUKKKKPURGKGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindolizidines
Subclass indolizidines
Direct Parent indolizidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidines
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • indolizidine
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • piperidine
  • pyrrolidone
  • organooxygen compound