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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:54 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230753
Frequency0.5
Structure
Chemical FormulaC9H17NO2
Molecular Mass171.1259
SMILESCN1CC2CCC(C1)C(O)C2O
InChI KeyDOFIMDVUSQWITO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • cyclic alcohol
  • aliphatic heteropolycyclic compound
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • 1,2-diol