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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:24 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206737
Frequency0.5
Structure
Chemical FormulaC15H14O7S
Molecular Mass338.046
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)c(S(=O)O)c1O
InChI KeyMDMIIAQNCYTCHI-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
  • organosulfur compounds
  • sulfinic acids
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • sulfinic acid derivative
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • organosulfur compound
  • sulfinic acid
  • ketone
  • phloroglucinol derivative
  • organic oxide
  • acylphloroglucinol derivative
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone