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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:51 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251362
Frequency0.5
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESOc1ccc(C2OC(c3ccc4c(c3)OCO4)CC2O)cc1
InChI KeyAECSHYPPCBTWIQ-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
  • monosaccharides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole