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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:18:03 UTC
Update Date2025-03-21 18:35:25 UTC
HMDB IDHMDB0130254
Metabolite Identification
DeepMet IDDMID00105565
Name{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)propyl]phenyl}oxidanesulfonic acid
Frequency25.6
Structure
Chemical FormulaC15H14O9S
Molecular Mass370.0359
SMILESO=C(CCc1ccc(OS(=O)(=O)O)cc1)c1c(O)cc(O)c(O)c1O
InChI KeyXJCOIUZIOYCNHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent 2'-hydroxy-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • ketone
  • phloroglucinol derivative
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • acylphloroglucinol derivative
  • organic sulfuric acid or derivatives
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone