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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:04 UTC
Update Date2025-03-25 00:50:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183194
Frequency0.5
Structure
Chemical FormulaC12H14O4
Molecular Mass222.0892
SMILESOC(c1ccc2c(c1)OCO2)C1CCOC1
InChI KeyQZUDMXSYQBXNAL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • aromatic alcohols
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • aromatic alcohol
  • alcohol
  • ether
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • benzodioxole