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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:18 UTC
Update Date2025-03-21 18:06:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065264
Frequency47.0
Structure
Chemical FormulaC12H8ClIO6S
Molecular Mass441.8775
SMILESO=S(=O)(O)Oc1ccc(Oc2ccc(Cl)cc2O)cc1I
InChI KeyBKFFZNMBKQUFEF-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-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • aryl iodides
  • chlorobenzenes
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-chlorophenols
  • organic oxides
  • organochlorides
  • organoiodides
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound