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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:45 UTC
Update Date2025-03-25 00:57:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223920
Frequency0.5
Structure
Chemical FormulaC7H9N3O4S
Molecular Mass231.0314
SMILESNC(=O)Nc1ccc(O)c(S(N)(=O)=O)c1
InChI KeyRGOJCOGXLKHLCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • n-phenylureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • carbonic acid derivative
  • benzenesulfonamide
  • aminosulfonyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • organosulfonic acid amide
  • aromatic homomonocyclic compound
  • n-phenylurea
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • benzenesulfonyl group