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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:44 UTC
Update Date2025-03-21 18:06:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066274
Frequency46.1
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESCNC1CCOc2ccccc21
InChI KeyJTDZTTMXUCIIGG-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
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • secondary aliphatic amine
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine