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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:14 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185846
Frequency0.5
Structure
Chemical FormulaC21H24O13S
Molecular Mass516.0938
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(OS(=O)(=O)O)C(O)C1O
InChI KeyBEYBPKGSMSCKNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glycosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2'-hydroxy-dihydrochalcones
  • acetals
  • alkyl sulfates
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • resorcinols
  • secondary alcohols
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cinnamylphenol
  • resorcinol
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • linear 1,3-diarylpropanoid
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • flavonoid o-glycoside
  • phenylketone
  • butyrophenone
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone