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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:06 UTC
Update Date2025-03-25 01:00:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245030
Frequency0.5
Structure
Chemical FormulaC10H10N2O
Molecular Mass174.0793
SMILESCN1CCOc2ccc(C#N)cc21
InChI KeyHYCJKDJFHKTMHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • benzomorpholines
  • dialkylarylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • ether
  • nitrile
  • azacycle
  • benzoxazine
  • alkyl aryl ether
  • benzomorpholine
  • oxazinane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • carbonitrile
  • tertiary amine
  • organooxygen compound