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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:08 UTC
Update Date2025-03-25 00:45:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151425
Frequency0.5
Structure
Chemical FormulaC8H3IN2O
Molecular Mass269.929
SMILESN#Cc1cc(I)c(O)c(C#N)c1
InChI KeyJVKDGAGVRBOYFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl iodides
  • benzonitriles
  • hydrocarbon derivatives
  • iodobenzenes
  • nitriles
  • o-iodophenols
  • organoiodides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • nitrile
  • 2-iodophenol
  • organohalogen compound
  • iodobenzene
  • benzonitrile
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • carbonitrile
  • organooxygen compound