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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:13 UTC
Update Date2025-03-25 00:55:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211047
Frequency0.5
Structure
Chemical FormulaC12H15NO2S
Molecular Mass237.0824
SMILESCC(=O)CCSCC(=O)Nc1ccccc1
InChI KeyDKRITAJBDYYZDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • n-arylamide
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound