Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:17:17 UTC
Update Date2025-03-21 20:52:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00383609
Frequency4.8
Structure
Chemical FormulaC8H15NO
Molecular Mass141.1154
SMILESCN1CC2CC(O)CC1C2
InChI KeyIDWZGBKJEBPGOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • cyclic alcohol
  • aliphatic heteropolycyclic compound
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organooxygen compound