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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:47 UTC
Update Date2025-03-25 00:47:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159738
Frequency0.5
Structure
Chemical FormulaC21H20O15S
Molecular Mass544.0523
SMILESO=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(OS(=O)(=O)O)c(O)c2)oc2cc(O)cc(O)c12
InChI KeyXCZRTVAVNFZUFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-3-o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • phenylsulfates
  • primary alcohols
  • pyranones and derivatives
  • secondary alcohols
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • phenylsulfate
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glycoside
  • pyranone
  • arylsulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound