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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:33 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157010
Frequency0.5
Structure
Chemical FormulaC21H20O13
Molecular Mass480.0904
SMILESO=C1c2c(O)cc(O)cc2OCC1c1cc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1
InChI KeyAOARQCBTCRYYGD-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • chromones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • isoflavanols
  • isoflavanones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • resorcinols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • resorcinol
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • chromone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • isoflavan
  • benzopyran
  • isoflavonoid-4p-o-glycoside
  • vinylogous acid
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • aryl ketone
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • isoflavanone
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • pyran carboxylic acid or derivatives
  • isoflavonoid o-glycoside
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound