Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:02:43 UTC
Update Date2025-03-24 20:35:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01495986
Frequency0.9
Structure
Chemical FormulaC9H13N
Molecular Mass135.1048
SMILESCN1C2C=CC3(C2)CC1C3
InChI KeyPUQAYFQYUVERIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • trialkylamines
  • Substituents
  • azacycle
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine