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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:56 UTC
Update Date2025-03-25 00:53:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201161
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESC=CC1(C)COc2c(C)cc(C)cc2O1
InChI KeyAXQZICWIKFUDCK-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
    • Substituents
  • benzo-1,4-dioxane
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound