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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:11 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172002
Frequency0.5
Structure
Chemical FormulaC11H12N2O
Molecular Mass188.095
SMILESCNC1COc2ccc(C#N)cc2C1
InChI KeyYGKRKBCTQHFWGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • secondary aliphatic amine
  • ether
  • nitrile
  • 1-benzopyran
  • alkyl aryl ether
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile
  • organooxygen compound
  • amine