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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:26 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156791
Frequency0.5
Structure
Chemical FormulaC22H16O9
Molecular Mass424.0794
SMILESO=C(OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1ccc(O)cc1
InChI KeyCIISFGSZTIJHRF-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
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzoyl derivatives
  • carboxylic acid esters
  • chromones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoate ester
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • flavanonol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • p-hydroxybenzoic acid alkyl ester
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • carboxylic acid ester
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone