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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:16 UTC
Update Date2025-03-25 01:01:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252309
Frequency0.5
Structure
Chemical FormulaC9H9NO5S
Molecular Mass243.0201
SMILESNS(=O)(=O)OC(=O)C=Cc1ccc(O)cc1
InChI KeyOGLWELWCANRUHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound