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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:45 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248821
Frequency0.5
Structure
Chemical FormulaC30H32O9
Molecular Mass536.2046
SMILESCOc1ccc(C2OCC3C(O)c4cc5c(cc4C(c4cc(OC)c(OC)c(OC)c4)C23)OCO5)cc1OC
InChI KeySPQZTTAOWMZYJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryltetralin lignans
  • benzodioxoles
  • dialkyl ethers
  • dimethoxybenzenes
  • furanonaphthodioxoles
  • hydrocarbon derivatives
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
  • tetralins
    • Substituents
  • linear furanonaphthodioxole
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-aryltetralin lignan
  • alkyl aryl ether
  • dialkyl ether
  • dimethoxybenzene
  • acetal
  • aromatic heteropolycyclic compound
  • o-dimethoxybenzene
  • organoheterocyclic compound
  • benzodioxole
  • alcohol
  • naphthofuran
  • tetrahydrofuran
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound