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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:40:11 UTC
Update Date2025-03-21 17:58:39 UTC
HMDB IDHMDB0129986
Metabolite Identification
DeepMet IDDMID00015821
Name{4-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenyl}oxidanesulfonic acid
Frequency272.7
Structure
Chemical FormulaC15H14O8S
Molecular Mass354.0409
SMILESCC(C(=O)c1c(O)cc(O)cc1O)c1ccc(OS(=O)(=O)O)cc1
InChI KeyQVJWMXFISOIERI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classalpha-methyldeoxybenzoin flavonoids
Subclass alpha-methyldeoxybenzoin flavonoids
Direct Parent alpha-methyldeoxybenzoin flavonoids
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
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylpropanes
  • phenylsulfates
  • stilbenes
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • phenylpropane
  • phloroglucinol derivative
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • acylphloroglucinol derivative
  • organic sulfuric acid or derivatives
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • alpha-methyldeoxybenzoin flavonoid
  • 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
  • stilbene