Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:20 UTC
Update Date2025-03-21 18:41:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00137089
Frequency18.2
Structure
Chemical FormulaC11H13N
Molecular Mass159.1048
SMILESc1ccc2c(c1)CN1CCCC21
InChI KeyGHJGFFVUDFMGBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzazocines
Direct Parent benzazocines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • isoindoles
  • isoindolines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • isoindole
  • tertiary aliphatic amine
  • aralkylamine
  • isoindoline
  • aromatic heteropolycyclic compound
  • isoindole or derivatives
  • benzazocine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound