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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:29 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204635
Frequency0.5
Structure
Chemical FormulaC21H16O9
Molecular Mass412.0794
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1(O)c1ccc(O)c(O)c1
InChI KeyJGSAVJCKONLQKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acyloins
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • isoflavanones
  • organic oxides
  • oxacyclic compounds
  • stilbenes
  • tertiary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isoflavanone
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • isoflavonoid
  • chromane
  • organoheterocyclic compound
  • alcohol
  • isoflavan
  • benzopyran
  • 5-hydroxyflavonoid
  • isoflavonoid skeleton
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • tertiary alcohol
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • acyloin
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone
  • stilbene