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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:48:01 UTC
Update Date2025-03-25 00:27:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02033598
Frequency0.6
Structure
Chemical FormulaC7H11NO
Molecular Mass125.0841
SMILESOC1C=CC2CNC1C2
InChI KeyIDCPTHJWFONVDT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • aliphatic heteropolycyclic compound
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine