Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:44 UTC
Update Date2025-03-25 00:52:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193750
Frequency0.5
Structure
Chemical FormulaC17H20N2O
Molecular Mass268.1576
SMILESCN(C)CCCC(O)c1ccc2cc(C#N)ccc2c1
InChI KeyRIXAMEKCCWVVMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • alcohol
  • nitrile
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • carbonitrile
  • tertiary amine
  • organooxygen compound