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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:55 UTC
Update Date2025-03-21 18:02:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038391
Frequency91.2
Structure
Chemical FormulaC18H19NO3
Molecular Mass297.1365
SMILESCOc1ccc2c3c1OC1C(=O)C=CC4C(C2)N(C)CCC314
InChI KeyXYYVYLMBEZUESM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classmorphinans
Subclass morphinans
Direct Parent morphinans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • coumarans
  • cyclohexenones
  • hydrocarbon derivatives
  • isoquinolones and derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenanthrenes and derivatives
  • piperidines
  • tetralins
  • trialkylamines
  • Substituents
  • cyclohexenone
  • tetralin
  • phenol ether
  • carbonyl group
  • ether
  • alkyl aryl ether
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • isoquinolone
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • coumaran
  • phenanthrene
  • azacycle
  • tertiary aliphatic amine
  • oxacycle
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • morphinan
  • amine
  • organooxygen compound