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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:02 UTC
Update Date2025-03-25 01:01:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251779
Frequency0.5
Structure
Chemical FormulaC12H12O6S
Molecular Mass284.0355
SMILESO=CC(=Cc1ccccc1)CCC(=O)OS(=O)(=O)O
InChI KeyYWLYSKIHGRQCPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamaldehydes
Subclass cinnamaldehydes
Direct Parent cinnamaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aldehydes
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • cinnamaldehyde
  • carbonyl group
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aldehyde
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound