Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:59 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153455
Frequency0.5
Structure
Chemical FormulaC16H21NO
Molecular Mass243.1623
SMILESCOc1ccc2c(c1)CC1CNC23CCCCC13
InChI KeySVFBENOWZQAQMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenanthrenes and derivatives
Subclass phenanthrenes and derivatives
Direct Parent phenanthrenes and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • benzazepines
  • dialkylamines
  • hydrocarbon derivatives
  • indoles
  • indolines
  • organopnictogen compounds
  • pyrrolidines
  • tetralins
  • Substituents
  • tetralin
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • dihydroindole
  • organoheterocyclic compound
  • secondary aliphatic amine
  • phenanthrene
  • azacycle
  • indole or derivatives
  • secondary amine
  • organic oxygen compound
  • azepine
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • benzazepine
  • organooxygen compound
  • amine