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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:11 UTC
Update Date2025-03-25 00:50:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178927
Frequency0.5
Structure
Chemical FormulaC26H24O9
Molecular Mass480.142
SMILESCOc1ccc(C2Oc3cc4c(c(O)c3CC2O)C(=O)CC(c2ccc(O)c(OC)c2)O4)cc1O
InChI KeyQRUFQHMGWRJKAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-o-methylated flavonoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-o-methylated flavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • pyranochromenes
  • pyranoflavonoids
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • ketone
  • organic oxide
  • pyranoflavonoid
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyranochromene
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3p-methoxyflavonoid-skeleton
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • 4p-methoxyflavonoid-skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone