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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:44 UTC
Update Date2025-03-21 18:35:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107241
Frequency25.1
Structure
Chemical FormulaC16H16O6
Molecular Mass304.0947
SMILESCOc1cc(C2COc3cc(O)cc(O)c3C2O)ccc1O
InChI KeyMDQCJEUQVCLIDZ-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
  • secondary alcohols
    • 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
  • alcohol
  • isoflavan
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound