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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:04 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153669
Frequency0.5
Structure
Chemical FormulaC18H25NO2
Molecular Mass287.1885
SMILESCOc1ccc(CC2C3CCC4CC3(CCN2C)O4)cc1
InChI KeyKTYXLOHIRLJNBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzylpiperidines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • oxetanes
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2-benzylpiperidine
  • alkyl aryl ether
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • piperidine
  • tertiary amine
  • benzylpiperidine
  • azacycle
  • tertiary aliphatic amine
  • methoxybenzene
  • benzylisoquinoline
  • oxacycle
  • organic oxygen compound
  • anisole
  • oxetane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound