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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:39 UTC
Update Date2025-03-25 00:56:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221385
Frequency0.5
Structure
Chemical FormulaC21H20O9
Molecular Mass416.1107
SMILESO=C(O)C1OC(OC2Oc3ccccc3C(=O)C2c2ccccc2)C(O)C(O)C1O
InChI KeyCGACTRXLQRLNLG-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
  • acetals
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • chromones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • isoflavanones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • glucuronic acid or derivatives
  • 1-benzopyran
  • isoflavonoid-2-o-glycoside
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • isoflavanone
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • oxane
  • organoheterocyclic compound
  • alcohol
  • isoflavan
  • benzopyran
  • pyran carboxylic acid or derivatives
  • isoflavonoid o-glycoside
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone