Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:59 UTC
Update Date2025-03-21 17:57:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008426
Frequency581.8
Structure
Chemical FormulaC11H15N
Molecular Mass161.1204
SMILESc1ccc(CC2CCCN2)cc1
InChI KeyNKHMSOXIXROFRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • secondary amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • amine