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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:07 UTC
Update Date2025-03-25 00:49:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171862
Frequency0.5
Structure
Chemical FormulaC11H14ClNO2
Molecular Mass227.0713
SMILESCN(C)CC1COc2cc(Cl)ccc2O1
InChI KeySMHKQCLOBUBPGW-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
  • aryl chlorides
  • benzenoids
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • oxacyclic compounds
  • para dioxins
  • trialkylamines
    • Substituents
  • aryl chloride
  • benzo-1,4-dioxane
  • ether
  • organochloride
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound