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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:41 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166335
Frequency0.5
Structure
Chemical FormulaC12H14ClNO4S
Molecular Mass303.0332
SMILESCC1CC(CC(=O)O)c2cc(S(N)(=O)=O)c(Cl)cc21
InChI KeyQGLROFKCPYAZRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organochlorides
  • organosulfonamides
    • Substituents
  • aryl chloride
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • aminosulfonyl compound
  • organochloride
  • aromatic homopolycyclic compound
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • organosulfonic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • indane
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound