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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:02 UTC
Update Date2025-03-21 18:41:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134150
Frequency18.8
Structure
Chemical FormulaC6H5IO3
Molecular Mass251.9283
SMILESOc1cc(O)c(I)cc1O
InChI KeyADLBUHUTNULXLZ-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
  • iodobenzenes
  • m-iodophenols
  • o-iodophenols
  • organoiodides
  • organooxygen compounds
  • p-iodophenols
    • Substituents
  • 3-halophenol
  • monocyclic benzene moiety
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • 4-halophenol
  • organic oxygen compound
  • 1,4-dihydroxy-2-halobenzenoid
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound