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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:34 UTC
Update Date2025-03-25 00:54:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204843
Frequency0.5
Structure
Chemical FormulaC12H7I3O5S
Molecular Mass643.7148
SMILESO=S(=O)(O)c1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChI KeyXBWQQRVNIYMROG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-sulfo,2-unsubstituted aromatic compounds
  • aryl iodides
  • arylsulfonic acids and derivatives
  • benzenesulfonic acids and derivatives
  • benzenesulfonyl compounds
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organosulfonic acids
  • phenol ethers
  • phenoxy compounds
  • sulfonyls
    • Substituents
  • diaryl ether
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • organosulfonic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzenesulfonate
  • organosulfur compound
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • benzenesulfonyl group
  • 1-sulfo,2-unsubstituted aromatic compound
  • 2-iodophenol
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound