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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:34 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204838
Frequency0.5
Structure
Chemical FormulaC21H24O13S
Molecular Mass516.0938
SMILESO=S(O)Oc1cc(O)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c1)C(O)C2
InChI KeyIMEJSGSIDITXKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • catechins
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • oxane
  • flavan-3-ol
  • primary alcohol
  • flavonoid-4p-o-glycoside
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • flavonoid o-glycoside
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound