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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:10 UTC
Update Date2025-03-25 00:59:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235985
Frequency0.5
Structure
Chemical FormulaC18H20O5
Molecular Mass316.1311
SMILESCOc1cc(OC)c2c(c1)OCC(c1ccc(O)c(OC)c1)C2
InChI KeyIFIPVRUOMIZFIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass o-methylated isoflavonoids
Direct Parent 3'-o-methylated isoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 5-o-methylated isoflavonoids
  • 7-o-methylated isoflavonoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • isoflavanols
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • 3p-methoxyisoflavonoid-skeleton
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • 5-methoxyisoflavonoid-skeleton
  • isoflavan
  • benzopyran
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • 7-methoxyisoflavonoid-skeleton
  • organooxygen compound