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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:51 UTC
Update Date2025-03-25 00:48:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166731
Frequency0.5
Structure
Chemical FormulaC11H15NO3S
Molecular Mass241.0773
SMILESCC(=O)NCCSCc1cc(O)ccc1O
InChI KeyCCAKFRPKAFEWNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • hydroquinone
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound