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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:18:03 UTC
Update Date2025-03-24 16:46:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00957889
Frequency1.5
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCN1CCC2C(O)C=CC21
InChI KeyNSZSYKSADZCXHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound