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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:49 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180399
Frequency0.5
Structure
Chemical FormulaC19H23NO3
Molecular Mass313.1678
SMILESCOc1cc2c3c(c1)CC1C4C=CC(O)C(OC2)C34CCN1C
InChI KeyKAQNUZOHQLSZSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classmorphinans
Subclass morphinans
Direct Parent morphinans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • phenanthrenes and derivatives
  • piperidines
  • secondary alcohols
  • tetralins
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • alkyl aryl ether
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • isochromane
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • phenanthrene
  • benzopyran
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • 2-benzopyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • morphinan
  • amine
  • organooxygen compound