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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:31 UTC
Update Date2025-03-21 18:04:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049371
Frequency66.8
Structure
Chemical FormulaC16H16O5
Molecular Mass288.0998
SMILESCOc1cc(C2COc3cc(O)cc(O)c3C2)ccc1O
InChI KeyGEZUNGGADIQVBC-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • 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
  • isoflavan
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound