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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:37 UTC
Update Date2025-03-21 18:34:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099551
Frequency27.6
Structure
Chemical FormulaC11H13ClO7S
Molecular Mass324.0071
SMILESO=C(CCC(O)Cc1ccc(O)c(Cl)c1)OS(=O)(=O)O
InChI KeyRPCWRBBEIAGQBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • carbonyl compounds
  • chlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • organic sulfuric acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • halobenzene
  • sulfuric acid ester
  • organooxygen compound