Hmdb loader

Showing information for DMID00007931

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:46 UTC
Update Date2025-03-21 17:57:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007931
Frequency625.8
Structure
Chemical FormulaC9H9ClN2O5S
Molecular Mass291.9921
SMILESCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChI KeyYUHXSVUWDBFINU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 4-halobenzoic acids
  • acetamides
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • chlorobenzenes
  • halobenzoic acids
  • hydrocarbon derivatives
  • m-haloacetanilides
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • organosulfonamides
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • organochloride
  • benzoyl
  • n-arylamide
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • haloacetanilide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • acetamide
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • halobenzoic acid
  • acylaminobenzoic acid or derivatives
  • benzenesulfonamide
  • 4-halobenzoic acid
  • aminosulfonyl compound
  • acetanilide
  • halobenzoic acid or derivatives
  • carboxamide group
  • aryl halide
  • 4-halobenzoic acid or derivatives
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • m-haloacetanilide
  • organooxygen compound