Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:09 UTC
Update Date2025-03-25 00:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213299
Frequency0.5
Structure
Chemical FormulaC16H19N
Molecular Mass225.1518
SMILESCN1CCC23C=CC(C2)C1Cc1ccccc13
InChI KeyCEMZGQCLBHOWJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzazocines
Direct Parent benzazocines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepanes
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • azacycle
  • tertiary aliphatic amine
  • azepane
  • aromatic heteropolycyclic compound
  • benzazocine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound