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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:02 UTC
Update Date2025-03-21 18:38:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120050
Frequency21.7
Structure
Chemical FormulaC6H5IO2
Molecular Mass235.9334
SMILESOc1cccc(O)c1I
InChI KeyBNJXHRMYHDWZKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organoiodides
  • organooxygen compounds
    • Substituents
  • monocyclic benzene moiety
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • resorcinol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • organooxygen compound