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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:39 UTC
Update Date2025-03-21 18:40:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130989
Frequency19.3
Structure
Chemical FormulaC15H14O7S
Molecular Mass338.046
SMILESO=C(CCc1ccc(O)cc1)c1ccc(O)cc1OS(=O)(=O)O
InChI KeyYHWXTHWKTHEEQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass cinnamylphenols
Direct Parent cinnamylphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • ketone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone