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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:57 UTC
Update Date2025-03-21 18:34:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100381
Frequency27.3
Structure
Chemical FormulaC12H8ClFO5S
Molecular Mass317.9765
SMILESO=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(F)cc1
InChI KeyWHNHNTZTEPYXCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • aryl fluorides
  • chlorobenzenes
  • diarylethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organofluorides
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • aryl fluoride
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organochloride
  • organohalogen compound
  • phenylsulfate
  • fluorobenzene
  • organic oxide
  • arylsulfate
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • organofluoride
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound