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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:00 UTC
Update Date2025-03-25 00:48:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167067
Frequency0.5
Structure
Chemical FormulaC17H15NO3S
Molecular Mass313.0773
SMILESCC(C(=O)O)c1ccc(C2Sc3ccccc3N=C2O)cc1
InChI KeyCOWUMZXWSKZECD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkylarylthioethers
  • aromatic monoterpenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • benzothiazines
  • bicyclic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzothiazine
  • p-cymene
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • 2-phenylpropanoic-acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • para-thiazine
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound
  • aromatic monoterpenoid