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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:32 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179732
Frequency0.5
Structure
Chemical FormulaC16H19NO2
Molecular Mass257.1416
SMILESCOc1ccc2c(OC)cc3c(c2c1)CCNC3C
InChI KeyATOKPWINQVZCJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • naphthalenes
  • organopnictogen compounds
    • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • azacycle
  • alkyl aryl ether
  • secondary amine
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine