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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:46 UTC
Update Date2025-03-25 00:48:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166517
Frequency0.5
Structure
Chemical FormulaC14H13FN2O4S
Molecular Mass324.058
SMILESCC(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2F)cc1
InChI KeyCYKOOZSBQYPRAZ-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
  • aminosulfonyl compounds
  • aryl fluorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • organosulfonamides
  • phenol ethers
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • aryl fluoride
  • diaryl ether
  • phenol ether
  • organosulfonic acid or derivatives
  • carbonyl group
  • ether
  • n-acetylarylamine
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • fluorobenzene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • benzenesulfonyl group
  • benzenesulfonamide
  • aminosulfonyl compound
  • acetanilide
  • organofluoride
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound