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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:37 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186770
Frequency0.5
Structure
Chemical FormulaC12H18N2O7S
Molecular Mass334.0835
SMILESNc1ccc(S(=O)(=O)NC2OC(CO)C(O)C(O)C2O)cc1
InChI KeyRRJAPOKKOVYRJE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • primary amines
  • secondary alcohols
    • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • monosaccharide
  • organosulfur compound
  • organosulfonic acid amide
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • aminosulfonyl compound
  • oxacycle
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound