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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:44 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161817
Frequency0.5
Structure
Chemical FormulaC27H28O18
Molecular Mass640.1276
SMILESO=C(O)C1OC(Oc2cc(-c3c(OC4OC(CO)C(O)C(O)C4O)oc4cc(O)cc(O)c4c3=O)ccc2O)C(O)C(O)C1O
InChI KeyLVRFHQDOUZATIS-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
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • coumarins and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous acids
  • vinylogous esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • 1-benzopyran
  • isoflavonoid-2-o-glycoside
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • isoflavone
  • alcohol
  • benzopyran
  • pyran carboxylic acid or derivatives
  • isoflavonoid-3p-o-glycoside
  • vinylogous ester
  • heteroaromatic compound
  • isoflavonoid o-glycoside
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound