Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:39 UTC
Update Date2025-03-25 00:53:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198145
Frequency0.5
Structure
Chemical FormulaC14H21NO
Molecular Mass219.1623
SMILESC=CC1(O)CCC23C=CC(C2C1)N(C)CC3
InChI KeyQAGARMBARKSPGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • cyclic alcohol
  • aliphatic heteropolycyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound