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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:17:32 UTC
Update Date2025-03-21 18:35:11 UTC
HMDB IDHMDB0128153
Metabolite Identification
DeepMet IDDMID00104306
Name6-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency26.0
Structure
Chemical FormulaC27H26O19
Molecular Mass654.1068
SMILESO=C(O)C1OC(Oc2cc(O)c3c(=O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O
InChI KeyRJXRCQLCSPIUMK-UHFFFAOYSA-N
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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • dicarboxylic acids and derivatives
  • flavonoid-3-o-glycosides
  • flavonoid-7-o-glucuronides
  • flavonoid-7-o-glycosides
  • flavonoids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • 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
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glucuronide
  • flavonoid-3-o-glycoside
  • pyranone
  • oxane
  • organoheterocyclic compound
  • flavonoid-7-o-glycoside
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • flavonoid-7-o-glucuronide
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound