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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:13 UTC
Update Date2025-03-21 17:58:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015875
Frequency271.6
Structure
Chemical FormulaC9H10O6S
Molecular Mass246.0198
SMILESO=C(O)C(Cc1ccccc1)OS(=O)(=O)O
InChI KeyCJLKEPYIULKIEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound