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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:24 UTC
Update Date2025-03-25 00:54:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209059
Frequency0.5
Structure
Chemical FormulaC13H15NO2S
Molecular Mass249.0824
SMILESC=CCC1SC(Cc2ccc(O)cc2)NC1=O
InChI KeyWJPAQSKEEDDGGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thiazolidines
  • thiohemiaminal derivatives
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • dialkylthioether
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • thiazolidine