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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:27 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250429
Frequency0.5
Structure
Chemical FormulaC10H9NO3S
Molecular Mass223.0303
SMILESO=C1CSC(C(=O)c2ccc(O)cc2)N1
InChI KeyVCHZMELPXMCJFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • 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
  • lactam
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • dialkylthioether
  • carboxamide group
  • secondary carboxylic acid amide
  • thioether
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • thiazolidine