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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:26 UTC
Update Date2025-03-21 18:34:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101591
Frequency26.9
Structure
Chemical FormulaC13H8Cl2O7S
Molecular Mass377.9368
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1OS(=O)(=O)O
InChI KeyNOTMRKBVXKVCEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 3-halobenzoic acids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • chlorobenzenes
  • diarylethers
  • halobenzoic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • ether
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • organochloride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • phenylsulfate
  • organic oxide
  • 3-halobenzoic acid
  • arylsulfate
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • aryl chloride
  • chlorobenzene
  • halobenzoic acid
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound