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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:25 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179464
Frequency0.5
Structure
Chemical FormulaC21H18O8
Molecular Mass398.1002
SMILESOc1ccc(Oc2cc(C3Oc4cc(O)cc(O)c4CC3O)ccc2O)c(O)c1
InChI KeyQIYCYYBOGAACTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • diarylethers
  • diphenylethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • resorcinols
  • secondary alcohols
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • resorcinol
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • diphenylether
  • organooxygen compound