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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:37 UTC
Update Date2025-03-25 00:59:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234719
Frequency0.5
Structure
Chemical FormulaC10H16N2O4S
Molecular Mass260.0831
SMILESCNCC(O)COc1ccc(S(N)(=O)=O)cc1
InChI KeyNWUOCZQEZADBTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • benzenesulfonyl group
  • alcohol
  • secondary aliphatic amine
  • benzenesulfonamide
  • aminosulfonyl compound
  • secondary amine
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine