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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:27:35 UTC
Update Date2025-03-25 00:42:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02127108
Frequency0.6
Structure
Chemical FormulaC39H51O24+
Molecular Mass903.2765
SMILESCC1OC(OCC2OC(Oc3cc(O)c4cc(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)c(-c5ccc(O)c(O)c5)[o+]c4c3)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyZKMBYPDKXUYHGH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent anthocyanidin-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
  • 5-hydroxyflavonoids
  • acetals
  • anthocyanidins
  • benzene and substituted derivatives
  • flavonoid-3-o-glycosides
  • flavonoid-7-o-glycosides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • anthocyanidin-3-o-glycoside
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glycoside
  • anthocyanidin
  • organic cation
  • oxane
  • organoheterocyclic compound
  • flavonoid-7-o-glycoside
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound