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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:28 UTC
Update Date2025-03-25 00:59:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238879
Frequency0.5
Structure
Chemical FormulaC8H8N2O6S
Molecular Mass260.0103
SMILESO=CNc1ccc(C(=O)O)cc1NS(=O)(=O)O
InChI KeyKAQKYQKWEDTXOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • anilides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfanilides
  • sulfuric acid monoamides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • benzoic acid
  • acylaminobenzoic acid or derivatives
  • organic sulfuric acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • sulfanilide
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfuric acid monoamide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound