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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:51 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182734
Frequency0.5
Structure
Chemical FormulaC14H14O5
Molecular Mass262.0841
SMILESO=CC1OCC2C(c3ccc4c(c3)OCO4)OCC12
InChI KeyZFJJVXHBOKZMAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • aldehydes
  • benzenoids
  • dialkyl ethers
  • furofurans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole