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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159195
Frequency0.5
Structure
Chemical FormulaC6H3Cl2IO2
Molecular Mass303.8555
SMILESOc1cc(O)c(I)c(Cl)c1Cl
InChI KeyQPAHOYNHWAQGHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • aryl iodides
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-chlorophenols
  • o-chlorophenols
  • o-iodophenols
  • organochlorides
  • organoiodides
  • organooxygen compounds
  • p-chlorophenols
  • p-iodophenols
  • resorcinols
    • Substituents
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • resorcinol
  • 4-halophenol
  • 1,2-dichlorobenzene
  • aryl chloride
  • 2-chlorophenol
  • 3-halophenol
  • 3-chlorophenol
  • 4-chlorophenol
  • 2-iodophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • organooxygen compound