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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:15 UTC
Update Date2025-03-21 18:35:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103626
Frequency26.2
Structure
Chemical FormulaC12H10Cl2N2O5S
Molecular Mass363.9687
SMILESNS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)c(Cl)c1Cl
InChI KeyYHBQURCRNFDIDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent dichlorobenzoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 3-halobenzoic acids
  • 4-halobenzoic acids
  • amino acids
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • benzoyl derivatives
  • dichlorobenzenes
  • furans
  • halobenzoic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • oxacyclic compounds
  • phenylalkylamines
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • 3-halobenzoic acid or derivatives
  • organochloride
  • benzoyl
  • 3-halobenzoic acid
  • organonitrogen compound
  • 1-carboxy-2-haloaromatic compound
  • organoheterocyclic compound
  • benzenesulfonyl group
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • halobenzoic acid
  • benzenesulfonamide
  • 4-halobenzoic acid
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • 4-halobenzoic acid or derivatives
  • hydrocarbon derivative
  • halobenzene
  • 3,4-dichlorobenzoic acid
  • amine
  • furan
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • amino acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • aminosulfonyl compound
  • halobenzoic acid or derivatives
  • secondary amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenylalkylamine
  • organic nitrogen compound
  • organooxygen compound