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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:45 UTC
Update Date2025-03-21 18:35:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107304
Frequency25.1
Structure
Chemical FormulaC18H16Cl2O4
Molecular Mass366.0426
SMILESOc1ccc(C2OCC3C(c4ccc(Cl)c(Cl)c4)OCC23)cc1O
InChI KeyMHBCHONHCBTIJC-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • dialkyl ethers
  • dichlorobenzenes
  • furofuran lignans
  • furofurans
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • furofuran lignan skeleton
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • furofuran
  • 1,2-dichlorobenzene
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • oxacycle
  • furan lignan skeleton
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound