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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:04 UTC
Update Date2025-03-25 00:53:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201420
Frequency0.5
Structure
Chemical FormulaC16H23NO2
Molecular Mass261.1729
SMILESCOc1cc2c(cc1O)CC1N(C)CCC2C1(C)C
InChI KeyCEBBYCXFVXXTAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Class6,7-benzomorphans
Subclass 6,7-benzomorphans
Direct Parent 6,7-benzomorphans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzazocines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperidines
  • tetralins
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • benzazocine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • 6,7-benzomorphan
  • organooxygen compound