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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:58 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194270
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCN1CC(C(C)(C)O)Oc2ccccc21
InChI KeyCSDFKPFJNBXWJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • dialkylarylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • ether
  • alkyl aryl ether
  • benzomorpholine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • benzoxazine
  • oxazinane
  • oxacycle
  • morpholine
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound