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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:36 UTC
Update Date2025-03-25 00:54:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204902
Frequency0.5
Structure
Chemical FormulaC22H14O9
Molecular Mass422.0638
SMILESO=c1c2c(oc3cc(O)cc(O)c13)-c1c(O)cc(O)cc1C(c1ccc(O)c(O)c1)O2
InChI KeyBPZIHNGMKBIKJD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass pyranoflavonoids
Direct Parent pyranoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • chromones
  • 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
  • organic oxide
  • pyranoflavonoid
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound