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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:44 UTC
Update Date2025-03-21 18:36:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109706
Frequency24.4
Structure
Chemical FormulaC20H20O4
Molecular Mass324.1362
SMILESOc1ccc(C2CCC3C(c4ccc5c(c4)OCO5)OCC23)cc1
InChI KeyZNORFWNVSWVDFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole