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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:21 UTC
Update Date2025-03-21 18:29:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00079849
Frequency36.5
Structure
Chemical FormulaC12H7BrCl2O5S
Molecular Mass411.8575
SMILESO=S(=O)(O)Oc1cc(Br)ccc1Oc1ccc(Cl)cc1Cl
InChI KeyCQWJBWVIQPEUPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl bromides
  • aryl chlorides
  • bromobenzenes
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organobromides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organochloride
  • bromodiphenyl ether
  • organohalogen compound
  • 1,3-dichlorobenzene
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • bromobenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organobromide
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • aryl bromide
  • organooxygen compound