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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:05 UTC
Update Date2025-03-21 18:31:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00083966
Frequency34.2
Structure
Chemical FormulaC16H12O7
Molecular Mass316.0583
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc3c(c2)OCO3)C1O
InChI KeyLGIONHDNDAGESQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzenoids
  • benzodioxoles
  • chromones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • 3-hydroxyflavonoid
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • flavanonol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone