Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:00 UTC
Update Date2025-03-25 01:00:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244791
Frequency0.5
Structure
Chemical FormulaC13H16N2
Molecular Mass200.1313
SMILESCN(C)C1CCc2cc(C#N)ccc2C1
InChI KeyOIGKWDJHEMDPQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • tetralin
  • nitrile
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • carbonitrile
  • tertiary amine