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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:52 UTC
Update Date2025-03-25 00:50:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182783
Frequency0.5
Structure
Chemical FormulaC21H14O6
Molecular Mass362.079
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)c(Oc3ccc(O)cc3)cc12
InChI KeyJNQWYTYHBJFLBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • chromones
  • diarylethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • pyranones and derivatives
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound