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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:39 UTC
Update Date2025-03-25 00:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161633
Frequency0.5
Structure
Chemical FormulaC16H17NO
Molecular Mass239.131
SMILESNCCC1(c2ccccc2)COc2ccccc21
InChI KeyAQMABUOGGBIGIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass 1-phenylcoumarans
Direct Parent 1-phenylcoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • 1-phenylcoumaran