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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:42 UTC
Update Date2025-03-25 00:48:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166394
Frequency0.5
Structure
Chemical FormulaC13H16O3
Molecular Mass220.1099
SMILESCC1CCC(c2ccc3c(c2)OCO3)OC1
InChI KeyMAONKTQUTSRMTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
    • Substituents
  • ether
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • oxane
  • organooxygen compound
  • benzodioxole