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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:20 UTC
Update Date2025-03-25 00:46:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156545
Frequency0.5
Structure
Chemical FormulaC21H22O9
Molecular Mass418.1264
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(OC3C(O)C(O)C(O)C(O)C3O)ccc21
InChI KeyYQTAZZZQTJTADU-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
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzene and substituted derivatives
  • chromones
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone