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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:02 UTC
Update Date2025-03-25 00:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222271
Frequency0.5
Structure
Chemical FormulaC9H9I2NO
Molecular Mass400.8774
SMILESOc1c(I)cc2c(c1I)CCNC2
InChI KeyHGVGMQSWXGGMIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl iodides
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • o-iodophenols
  • organoiodides
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • 2-iodophenol
  • secondary amine
  • organohalogen compound
  • organoiodide
  • aryl halide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • organic nitrogen compound
  • organooxygen compound
  • amine