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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:33 UTC
Update Date2025-03-21 18:33:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096945
Frequency28.5
Structure
Chemical FormulaC14H12ClNO6S
Molecular Mass357.0074
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)cc2OS(=O)(=O)O)cc1
InChI KeyJNGWAFYWBWLZQO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • diarylethers
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • n-acetylarylamine
  • organochloride
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • acetamide
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • acetanilide
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • diphenylether
  • organooxygen compound