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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:27 UTC
Update Date2025-03-25 00:57:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225406
Frequency0.5
Structure
Chemical FormulaC8H9IN2O4S
Molecular Mass355.9328
SMILESCC(=O)Nc1ccc(OS(N)(=O)=O)c(I)c1
InChI KeyBXZWKRYVHVFOTB-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 iodides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • iodobenzenes
  • n-acetylarylamines
  • organic oxides
  • organic sulfuric acids and derivatives
  • organoiodides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • organic sulfuric acid or derivatives
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • m-haloacetanilide
  • organooxygen compound