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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:36 UTC
Update Date2025-03-25 00:56:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218913
Frequency0.5
Structure
Chemical FormulaC19H22INO3
Molecular Mass439.0644
SMILESCOc1ccc(CC2c3cc(I)c(OC)cc3CCN2C)cc1O
InChI KeyNLTJXSZYYPHASI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • aryl iodides
  • azacyclic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organoiodides
  • organopnictogen compounds
  • phenoxy compounds
  • tetrahydroisoquinolines
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • aralkylamine
  • organoiodide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • benzylisoquinoline
  • aryl halide
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound