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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:34 UTC
Update Date2025-03-21 18:29:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080396
Frequency36.2
Structure
Chemical FormulaC10H10O7S
Molecular Mass274.0147
SMILESO=C(O)CCc1ccccc1C(=O)OS(=O)(=O)O
InChI KeyNFGFCMYNAATIDW-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
  • benzoic acids and derivatives
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon 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
  • benzoyl
  • benzoic acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound