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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:54 UTC
Update Date2025-03-25 00:59:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237608
Frequency0.5
Structure
Chemical FormulaC11H13NOS
Molecular Mass207.0718
SMILESO=C1CCC(CSc2ccccc2)N1
InChI KeyALOGIQZYMZHWBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classthiophenols
Subclass thiophenols
Direct Parent thiophenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • thiophenol ethers
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • sulfenyl compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound