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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:43:13 UTC
Update Date2025-03-21 17:59:40 UTC
HMDB IDHMDB0136090
Metabolite Identification
DeepMet IDDMID00022498
Name2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
Frequency176.2
Structure
Chemical FormulaC15H14O8
Molecular Mass322.0689
SMILESOc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2O
InChI KeyZEACOKJOQLAYTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent epigallocatechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 4-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • leucoanthocyanidins
  • oxacyclic compounds
  • pyrogallols and derivatives
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • 4-hydroxyflavonoid
  • aromatic heteropolycyclic compound
  • leucoanthocyanidin-skeleton
  • chromane
  • organoheterocyclic compound
  • 1,2-diol
  • 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
  • epigallocatechin
  • organooxygen compound