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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:53 UTC
Update Date2025-03-25 01:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253634
Frequency0.5
Structure
Chemical FormulaC23H23NO12
Molecular Mass505.122
SMILESO=C(CO)Nc1cc2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2
InChI KeyZAHSQOQZZDMMNR-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
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • chromones
  • flavanones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-arylamides
  • o-glucuronides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • chromone
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • secondary carboxylic acid amide
  • phenol
  • hydrocarbon derivative
  • aryl ketone
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • flavonoid-5-o-glucuronide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • chromane
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound