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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:07 UTC
Update Date2025-03-21 18:33:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098369
Frequency28.0
Structure
Chemical FormulaC13H21NO3S
Molecular Mass271.1242
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1OC
InChI KeyLDWLOHNLSSQLNA-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
  • anisoles
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • benzenesulfonyl group
  • benzenesulfonamide
  • aminosulfonyl compound
  • methoxybenzene
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound