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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:22 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177083
Frequency0.5
Structure
Chemical FormulaC21H20O10
Molecular Mass432.1056
SMILESO=c1cc(-c2ccc(O)c(O)c2)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1
InChI KeyQTCNACWKTQJKBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classneoflavonoids
Subclass neoflavonoid 7-o-glycosides
Direct Parent neoflavonoid 7-o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • coumarin glycosides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • neoflavones
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • pyranones and derivatives
  • secondary alcohols
    • Substituents
  • coumarin-7-o-glycoside
  • phenol ether
  • monocyclic benzene moiety
  • coumarin o-glycoside
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • pyranone
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 4-phenylcoumarin
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • neoflavonoid-7-o-glycoside
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound