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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:57 UTC
Update Date2025-03-25 00:50:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180704
Frequency0.5
Structure
Chemical FormulaC14H20O4
Molecular Mass252.1362
SMILESCc1c(C)c2c(c(C)c1O)OCC(C(C)(C)O)O2
InChI KeyOAGUVCXPRNRWIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • para dioxins
  • tertiary alcohols
    • Substituents
  • alcohol
  • benzo-1,4-dioxane
  • ether
  • alkyl aryl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound