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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:05 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169494
Frequency0.5
Structure
Chemical FormulaC13H15NO2S
Molecular Mass249.0824
SMILESCCCN=C(S)C(=O)CC(=O)c1ccccc1
InChI KeyVEHVRLZOABJMMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylthiols
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • imidothioic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidothioic acid or derivatives
  • alkylthiol
  • alkyl-phenylketone