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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:01 UTC
Update Date2025-03-21 18:41:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136371
Frequency18.4
Structure
Chemical FormulaC8H10INO2
Molecular Mass278.9756
SMILESNCCc1cc(O)cc(I)c1O
InChI KeyDKVNJZLITNZOJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1,4-dihydroxy-2-halobenzenoids
Direct Parent 1,4-dihydroxy-2-halobenzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • halophenols
  • hydrocarbon derivatives
  • hydroquinones
  • iodobenzenes
  • m-iodophenols
  • monoalkylamines
  • o-iodophenols
  • organoiodides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organonitrogen compound
  • organopnictogen compound
  • 3-halophenol
  • 2-iodophenol
  • aryl halide
  • hydroquinone
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • 1,4-dihydroxy-2-halobenzenoid
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • 3-iodophenol
  • organooxygen compound