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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:35 UTC
Update Date2025-03-21 18:33:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094605
Frequency29.4
Structure
Chemical FormulaC21H19O12+
Molecular Mass463.0871
SMILESO=C(O)C1OC(Oc2cc3cc(O)c(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
InChI KeyDDAOCTZWSXTGLW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-3-o-glucuronides
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
  • 7-hydroxyflavonoids
  • acetals
  • anthocyanidin-3-o-glycosides
  • anthocyanidins
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • flavonoid-3-o-glycosides
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic cations
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • 1-benzopyran
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • anthocyanidin-3-o-glycoside
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glucuronide
  • flavonoid-3-o-glycoside
  • anthocyanidin
  • organic cation
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • 6-hydroxyflavonoid
  • heteroaromatic compound
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • anthocyanin
  • organooxygen compound