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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:48 UTC
Update Date2025-03-25 00:56:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217067
Frequency0.5
Structure
Chemical FormulaC12H19NO2
Molecular Mass209.1416
SMILESCC(C)CCC1C(=O)C2CCCN2C1=O
InChI KeyZJADDCKYYQKTTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidinones
Direct Parent pyrrolizidinones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • 3-pyrrolidone
  • carboxylic acid derivative
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • pyrrolizidinone
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound