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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:25 UTC
Update Date2025-03-21 18:33:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096614
Frequency28.6
Structure
Chemical FormulaC12H7Cl3O4S
Molecular Mass351.9131
SMILESO=S(=O)(O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChI KeyFABULNMQMSWRJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-sulfo,2-unsubstituted aromatic compounds
  • aryl chlorides
  • arylsulfonic acids and derivatives
  • benzenesulfonic acids and derivatives
  • benzenesulfonyl compounds
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organosulfonic acids
  • phenol ethers
  • phenoxy compounds
  • sulfonyls
    • Substituents
  • diaryl ether
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • organochloride
  • organosulfonic acid
  • benzenesulfonate
  • organosulfur compound
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • 1-sulfo,2-unsubstituted aromatic compound
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound