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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:21:34 UTC
Update Date2025-03-24 21:35:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01828770
Frequency0.7
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESOC1CCN2CCC12
InChI KeyPBASOIJHLXQJFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • azetidine
  • aliphatic heteropolycyclic compound
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound