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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:53:38 UTC
Update Date2025-03-21 18:03:55 UTC
HMDB IDHMDB0037948
Metabolite Identification
DeepMet IDDMID00047280
NameCatechin 5-glucoside
Frequency70.5
Structure
Chemical FormulaC21H24O11
Molecular Mass452.1319
SMILESOCC1OC(Oc2cc(O)cc3c2CC(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O
InChI KeyZESJTWVSXGZYTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glycosides
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
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • catechins
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • acetal
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • oxane
  • flavan-3-ol
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • flavonoid-5-o-glycoside
  • 1-hydroxy-4-unsubstituted benzenoid
  • flavonoid o-glycoside
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound