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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 IDDMID02186917
Frequency0.5
Structure
Chemical FormulaC8H8ClNO5S
Molecular Mass264.9812
SMILESNS(=O)(=O)c1cc(Cl)c(O)c(CC(=O)O)c1
InChI KeyVIJHCLUPQKVISP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • carbonyl compounds
  • carboxylic acids
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic nitrogen compounds
  • organic oxides
  • organochlorides
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • organochloride
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • organosulfonic acid amide
  • organic oxide
  • 2(hydroxyphenyl)acetic acid
  • benzenesulfonyl group
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • benzenesulfonamide
  • aminosulfonyl compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound