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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:25:54 UTC
Update Date2025-03-21 18:39:10 UTC
HMDB IDHMDB0125233
Metabolite Identification
DeepMet IDDMID00124413
Name6-{[3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency20.7
Structure
Chemical FormulaC21H18O14
Molecular Mass494.0697
SMILESO=C(O)C1OC(Oc2cc(O)cc3oc(-c4cc(O)c(O)c(O)c4)c(O)c(=O)c23)C(O)C(O)C1O
InChI KeyXGWJLEVLXQJUCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • flavonoids
  • flavonols
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyranones and derivatives
  • pyrogallols and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • 3-hydroxyflavone
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carboxylic acid
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • chromone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyrogallol derivative
  • benzenetriol
  • heteroaromatic compound
  • 7-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • carbonyl group
  • glucuronic acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • flavonoid-5-o-glucuronide
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • benzenoid
  • organooxygen compound