Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:03 UTC
Update Date2025-03-25 01:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254026
Frequency0.5
Structure
Chemical FormulaC13H19N
Molecular Mass189.1518
SMILESCC(CN1CCCC1)c1ccccc1
InChI KeyLGZZIVMMTDNFAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropylamines
Direct Parent phenylpropylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • phenylpropylamine
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • organoheterocyclic compound