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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:07 UTC
Update Date2025-03-21 18:38:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122634
Frequency21.1
Structure
Chemical FormulaC16H16O7
Molecular Mass320.0896
SMILESCOc1c(O)cc2c(c1O)CC(O)C(c1ccc(O)c(O)c1)O2
InChI KeySNFGDEPCCYYUTB-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
  • 6-o-methylated flavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • anisoles
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 6-methoxyflavonoid-skeleton
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound