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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:22 UTC
Update Date2025-03-21 18:05:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00058311
Frequency54.2
Structure
Chemical FormulaC9H11NO6S
Molecular Mass261.0307
SMILESCC(=O)Nc1ccccc1OCOS(=O)(=O)O
InChI KeyKZUHKRDGWWLNRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • organic sulfuric acid or derivatives
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound