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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:03 UTC
Update Date2025-03-25 00:59:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235762
Frequency0.5
Structure
Chemical FormulaC13H11ClO6S
Molecular Mass329.9965
SMILESCOc1ccc(Oc2ccc(Cl)cc2)c(OS(=O)(=O)O)c1
InChI KeyBWELAQMDOWGJRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aryl chlorides
  • chlorobenzenes
  • diarylethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organochlorides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound