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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:31 UTC
Update Date2025-03-21 18:35:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104254
Frequency26.0
Structure
Chemical FormulaC13H22N2O4S
Molecular Mass302.13
SMILESCC(C)CN(CC(O)CO)S(=O)(=O)c1ccc(N)cc1
InChI KeyNUAKSJLKKVKJAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • aminosulfonyl compounds
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • primary alcohols
  • primary amines
  • secondary alcohols
    • Substituents
  • organosulfonic acid or derivatives
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • 1,2-diol
  • benzenesulfonyl group
  • alcohol
  • benzenesulfonamide
  • aminosulfonyl compound
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound