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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:17 UTC
Update Date2025-03-25 00:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176857
Frequency0.5
Structure
Chemical FormulaC21H20O11
Molecular Mass448.1006
SMILESCOc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c1C(=O)C(c1ccc(O)cc1)O2
InChI KeyQLWZVYGOIJDJBI-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
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • benzofuranones
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • coumarans
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • glucuronic acid or derivatives
  • benzofuranone
  • 2-arylbenzofuran flavonoid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • coumaran
  • alcohol
  • pyran carboxylic acid or derivatives
  • benzofuran
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone