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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:25:21 UTC
Update Date2025-03-21 18:38:54 UTC
HMDB IDHMDB0030684
Metabolite Identification
DeepMet IDDMID00123166
NameCyanidin 3-glucoside
Frequency21.0
Structure
Chemical FormulaC21H21O11+
Molecular Mass449.1078
SMILESOCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
InChI KeyRKWHWFONKJEUEF-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
  • 7-hydroxyflavonoids
  • acetals
  • anthocyanidins
  • benzene and substituted derivatives
  • flavonoid-3-o-glycosides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • 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
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound