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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:19:47 UTC
Update Date2025-03-21 18:36:17 UTC
HMDB IDHMDB0029543
Metabolite Identification
DeepMet IDDMID00109810
Name(+)-Ligballinol
Frequency24.3
Structure
Chemical FormulaC18H18O4
Molecular Mass298.1205
SMILESOc1ccc(C2OCC3C(c4ccc(O)cc4)OCC23)cc1
InChI KeyAYMLHOROIXAYPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass furan lignans
Direct Parent furan lignans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • furofuran lignans
  • furofurans
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • monocyclic benzene moiety
  • ether
  • furofuran lignan skeleton
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • furan lignan skeleton
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • furofuran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound