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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:48 UTC
Update Date2025-03-21 18:07:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068869
Frequency43.9
Structure
Chemical FormulaC8H8ClNO5S
Molecular Mass264.9812
SMILESCC(=O)Nc1ccc(OS(=O)(=O)O)c(Cl)c1
InChI KeyZQQAGHCPWKIUED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent m-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • 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
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • m-haloacetanilide
  • organooxygen compound