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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:02:47 UTC
Update Date2025-03-21 18:07:21 UTC
HMDB IDHMDB0303649
Metabolite Identification
DeepMet IDDMID00068814
NamePeonidin 3-rutinoside
Frequency44.0
Structure
Chemical FormulaC28H33O15+
Molecular Mass609.1814
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O
InChI KeyONQVTPMFYSRRLL-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'-o-methylated flavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • anthocyanidins
  • flavonoid-3-o-glycosides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • anthocyanidin-3-o-glycoside
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glycoside
  • anthocyanidin
  • organic cation
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound