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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:26 UTC
Update Date2025-03-21 18:05:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00058438
Frequency54.1
Structure
Chemical FormulaC22H26O11
Molecular Mass466.1475
SMILESOCC1C(O)C(O)C(O)C(Oc2cc(C3Oc4cc(O)cc(O)c4CC3O)ccc2O)C1O
InChI KeyUSEANEKXBVBXRI-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
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • cyclohexanol
  • 5-hydroxyflavonoid
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound