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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:17 UTC
Update Date2025-03-25 00:58:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233954
Frequency0.5
Structure
Chemical FormulaC21H18O9
Molecular Mass414.0951
SMILESOc1ccc(C2Oc3c(c(O)cc(O)c3-c3cc(O)c(O)c(O)c3)CC2O)cc1O
InChI KeyHLJWIZWRNIKHQY-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
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • pyrogallols and derivatives
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyrogallol derivative
  • benzenetriol
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound