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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:49 UTC
Update Date2025-03-25 00:53:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198505
Frequency0.5
Structure
Chemical FormulaC22H22O11
Molecular Mass462.1162
SMILESCC1(O)C(C(=O)O)OC(Oc2cc(O)cc3c2C(=O)CC(c2ccc(O)cc2)O3)C(O)C1O
InChI KeyXDDVFQPYHGNCBW-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
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • carboxylic acids
  • chromones
  • flavanones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • glucuronic acid or derivatives
  • 1-benzopyran
  • flavanone
  • flavan
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • flavonoid-5-o-glucuronide
  • ketone
  • 1-o-glucuronide
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • oxacycle
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone