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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:36 UTC
Update Date2025-03-25 00:50:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182161
Frequency0.5
Structure
Chemical FormulaC24H22O9
Molecular Mass454.1264
SMILESO=C(O)C1OC(Oc2ccc3c4c(ccc3c2)CC(c2ccc(O)cc2)O4)C(O)C(O)C1O
InChI KeyVSCDLVLOMMFLAS-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
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • coumarans
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • naphthalenes
  • naphthofurans
  • 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
  • glucuronic acid or derivatives
  • 2-arylbenzofuran flavonoid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • coumaran
  • alcohol
  • pyran carboxylic acid or derivatives
  • naphthofuran
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • naphthalene
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound