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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:41 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186908
Frequency0.5
Structure
Chemical FormulaC13H17ClN2O8S
Molecular Mass396.0394
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCC2OCC(O)C(O)C2O)cc1Cl
InChI KeyALQCLDWNORPLTA-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
  • 4-halobenzoic acids
  • amino acids
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • chlorobenzenes
  • dialkyl ethers
  • halobenzoic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • oxanes
  • phenylalkylamines
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • organochloride
  • benzoyl
  • monosaccharide
  • dialkyl ether
  • saccharide
  • organonitrogen compound
  • 1-carboxy-2-haloaromatic compound
  • oxane
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • alcohol
  • vinylogous amide
  • halobenzoic acid
  • benzenesulfonamide
  • 4-halobenzoic acid
  • secondary aliphatic/aromatic amine
  • aryl halide
  • 4-halobenzoic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • amine
  • organosulfonic acid or derivatives
  • ether
  • aromatic heteromonocyclic compound
  • amino acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organopnictogen compound
  • benzoic acid
  • aminosulfonyl compound
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • secondary amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • phenylalkylamine
  • organic nitrogen compound
  • organooxygen compound