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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:26 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181808
Frequency0.5
Structure
Chemical FormulaC11H9NO3S
Molecular Mass235.0303
SMILESO=C(O)C1=NC(C(=O)c2ccccc2)SC1
InChI KeySCBFVBQJYDKYKX-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
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • meta-thiazoline
  • aromatic heteromonocyclic compound
  • imine
  • benzoyl
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • dialkylthioether
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone