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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:18 UTC
Update Date2025-03-21 18:00:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029687
Frequency125.8
Structure
Chemical FormulaC16H14O6
Molecular Mass302.079
SMILESOc1cc(O)c2c(c1)OC(c1ccc3c(c1)OCO3)C(O)C2
InChI KeyLHAXHYWJDOBWTM-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
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • benzenoids
  • benzodioxoles
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • acetal
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound