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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:39 UTC
Update Date2025-03-25 01:01:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250885
Frequency0.5
Structure
Chemical FormulaC15H14O7S
Molecular Mass338.046
SMILESO=C(O)CCc1ccc(OS(=O)(=O)Oc2ccc(O)cc2)cc1
InChI KeyYSTLCLTYUSGRLW-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • arylsulfates
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • sulfuric acid diesters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfuric acid diester
  • phenol
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound