Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:21 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218337
Frequency0.5
Structure
Chemical FormulaC11H17N
Molecular Mass163.1361
SMILESCNCCCc1ccccc1C
InChI KeyBJUJXKPPOKQZSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • aromatic homomonocyclic compound
  • secondary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • secondary amine
  • toluene
  • amine