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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:21 UTC
Update Date2025-03-21 18:29:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079846
Frequency36.5
Structure
Chemical FormulaC6H4ClIO
Molecular Mass253.8995
SMILESOc1cc(Cl)ccc1I
InChI KeyJIGSWDKRFQWANT-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • aryl iodides
  • chlorobenzenes
  • hydrocarbon derivatives
  • iodobenzenes
  • m-chlorophenols
  • o-iodophenols
  • organochlorides
  • organoiodides
  • organooxygen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • monocyclic benzene moiety
  • organochloride
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • organooxygen compound