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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:38 UTC
Update Date2025-03-25 00:48:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170760
Frequency0.5
Structure
Chemical FormulaC21H20O9
Molecular Mass416.1107
SMILESCOC(=O)C1OC(Oc2ccc3cc(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
InChI KeyIFWQTBDBKKZFBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • benzofurans
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • furans
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • furan
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • glucuronic acid or derivatives
  • 2-arylbenzofuran flavonoid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • methyl ester
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • benzofuran
  • heteroaromatic compound
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound