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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:55 UTC
Update Date2025-03-25 00:56:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221989
Frequency0.5
Structure
Chemical FormulaC21H18O7
Molecular Mass382.1053
SMILESOc1ccc(C2Oc3c(O)cccc3C(c3ccc(O)c(O)c3)C2O)cc1O
InChI KeyLJRIYQGGTLBZRE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 8-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-3-ols
  • hydrocarbon derivatives
  • neoflavans
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • neoflavan
  • 8-hydroxyflavonoid
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • neoflavonoid skeleton
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound