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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:25:04 UTC
Update Date2025-03-25 01:02:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02258598
Frequency0.5
Structure
Chemical FormulaC8H15NO
Molecular Mass141.1154
SMILESCC1C(O)CC2CCCN21
InChI KeyAHEPBMNNLGLTSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidines
Direct Parent pyrrolizidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrolizidine
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound