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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:00 UTC
Update Date2025-03-25 01:01:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251693
Frequency0.5
Structure
Chemical FormulaC26H26O16
Molecular Mass594.1221
SMILESO=C1c2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)OC1c1ccccc1
InChI KeyBFAXFBXSABLYMJ-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
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • benzofuranones
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • coumarans
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • 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
  • 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
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone