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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:38 UTC
Update Date2025-03-25 00:47:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159400
Frequency0.5
Structure
Chemical FormulaC14H12Cl2O6S
Molecular Mass377.9732
SMILESO=S(=O)(O)OC(CO)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChI KeyLRQCJTGSADFEEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • aryl chlorides
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • alkyl sulfate
  • primary alcohol
  • aryl chloride
  • chlorobenzene
  • alcohol
  • organic sulfuric acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound