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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:25 UTC
Update Date2025-03-21 18:01:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00032337
Frequency112.9
Structure
Chemical FormulaC9H11NO4S
Molecular Mass229.0409
SMILESCC(=O)Nc1ccccc1OS(C)(=O)=O
InChI KeyAGQIFLMFTGFQET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methanesulfonates
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • secondary carboxylic acid amides
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • sulfonic acid ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • acetanilide
  • carboxamide group
  • organosulfonic acid ester
  • aromatic homomonocyclic compound
  • methanesulfonate
  • secondary carboxylic acid amide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound