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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:30 UTC
Update Date2025-03-25 00:49:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177395
Frequency0.5
Structure
Chemical FormulaC15H15NO2S
Molecular Mass273.0824
SMILESCc1ccc(SCC(=O)Nc2ccccc2O)cc1
InChI KeyQKIASQIVWKALSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkylarylthioethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • toluenes
    • Substituents
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • sulfenyl compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organooxygen compound