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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:19 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218261
Frequency0.5
Structure
Chemical FormulaC14H15NO2S
Molecular Mass261.0824
SMILESCc1ncsc1Cc1ccc(C(C)C(=O)O)cc1
InChI KeyRAPXTLJZEIHSPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • aromatic monoterpenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • p-cymene
  • carboxylic acid derivative
  • organic oxide
  • 2-phenylpropanoic-acid
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • thiazole
  • organooxygen compound
  • aromatic monoterpenoid