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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159189
Frequency0.5
Structure
Chemical FormulaC20H19O11+
Molecular Mass435.0922
SMILESOc1cc(O)c2[o+]c(-c3ccc(O)c(O)c3)c(OC3OC(O)C(O)C(O)C3O)cc2c1
InChI KeyVFWDSASMAXHTPE-UHFFFAOYSA-O
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-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • 8-hydroxyflavonoids
  • acetals
  • anthocyanidins
  • benzene and substituted derivatives
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • 8-hydroxyflavonoid
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glycoside
  • anthocyanidin
  • hemiacetal
  • organic cation
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 6-hydroxyflavonoid
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound