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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:55 UTC
Update Date2025-03-25 00:45:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150936
Frequency0.5
Structure
Chemical FormulaC16H21NO2
Molecular Mass259.1572
SMILESCNCCCC(O)c1cccc2ccc(OC)cc12
InChI KeyNULWMTUUFKNRGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • secondary aliphatic amine
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • secondary amine
  • naphthalene
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine