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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:21:52 UTC
Update Date2025-03-24 20:43:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01542797
Frequency0.8
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESO=C1C2CCCN1CC2
InChI KeyPPHPVUSLTLMLOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • delta lactams
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinones
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • delta-lactam
  • aliphatic heteropolycyclic compound
  • organic oxide
  • azepane
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • piperidine
  • pyrrolidone
  • organooxygen compound