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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:23 UTC
Update Date2025-03-21 18:39:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125555
Frequency20.4
Structure
Chemical FormulaC21H20O10
Molecular Mass432.1056
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc12
InChI KeyIIGKKXNSLXSVPX-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
  • acetals
  • benzene and substituted derivatives
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 1-benzopyran
  • isoflavonoid-6-o-glycoside
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • isoflavone
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • isoflavonoid o-glycoside
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound