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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:52:38 UTC
Update Date2025-03-21 18:03:32 UTC
HMDB IDHMDB0041731
Metabolite Identification
DeepMet IDDMID00044865
NameEquol 4'-O-glucuronide
Frequency75.3
Structure
Chemical FormulaC21H22O9
Molecular Mass418.1264
SMILESO=C(O)C1OC(Oc2ccc(C3COc4cc(O)ccc4C3)cc2)C(O)C(O)C1O
InChI KeyVIKIIYUHWNDRNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavonoid o-glycosides
Direct Parent isoflavonoid o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • isoflavanols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • 1-benzopyran
  • isoflavanol
  • 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
  • chromane
  • oxane
  • organoheterocyclic compound
  • alcohol
  • isoflavan
  • benzopyran
  • pyran carboxylic acid or derivatives
  • isoflavonoid-4p-o-glycoside
  • isoflavonoid o-glycoside
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound