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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:52 UTC
Update Date2025-03-25 00:46:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155532
Frequency0.5
Structure
Chemical FormulaC13H19NO2
Molecular Mass221.1416
SMILESCc1ccc2c(c1)OC(CN(C)C)C(C)O2
InChI KeyVAGSCWBYSPFDGL-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
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • trialkylamines
    • Substituents
  • benzo-1,4-dioxane
  • ether
  • tertiary aliphatic amine
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound