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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:05 UTC
Update Date2025-03-25 00:50:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183236
Frequency0.5
Structure
Chemical FormulaC11H13NO5S
Molecular Mass271.0514
SMILESO=C(O)c1ccccc1S(=O)(=O)N1CCOCC1
InChI KeyYTQKWJNSSYODEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • azacyclic compounds
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • morpholines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • sulfonyls
  • Substituents
  • organosulfonic acid or derivatives
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • dialkyl ether
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organoheterocyclic compound
  • benzenesulfonyl group
  • benzenesulfonamide
  • azacycle
  • benzoic acid or derivatives
  • oxazinane
  • oxacycle
  • morpholine
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound