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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:57 UTC
Update Date2025-03-25 00:50:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178422
Frequency0.5
Structure
Chemical FormulaC22H22O12
Molecular Mass478.1111
SMILESCOC1C(O)C(O)C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C1O
InChI KeyLKCXOTCOTFPHOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • chromones
  • cyclitols and derivatives
  • cyclohexanols
  • dialkyl ethers
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dialkyl ether
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • cyclohexanol
  • 5-hydroxyflavonoid
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound