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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:44 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205219
Frequency0.5
Structure
Chemical FormulaC8H10INO2
Molecular Mass278.9756
SMILESNCC(O)c1ccc(O)cc1I
InChI KeyNIXIVMFKCZEGRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • aryl iodides
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • monoalkylamines
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • 3-halophenol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • 3-iodophenol
  • organooxygen compound