Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:14 UTC
Update Date2025-03-21 18:05:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057987
Frequency54.6
Structure
Chemical FormulaC9H14N+
Molecular Mass136.1121
SMILESC[N+](C)(C)c1ccccc1
InChI KeyZNEOHLHCKGUAEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass aniline and substituted anilines
Direct Parent aniline and substituted anilines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • Substituents
  • aniline or substituted anilines
  • quaternary ammonium salt
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine