Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:43 UTC
Update Date2025-03-21 18:36:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112078
Frequency23.7
Structure
Chemical FormulaC13H18N2O
Molecular Mass218.1419
SMILESNC(Cc1ccccc1)C(=O)C1CCCN1
InChI KeyDWFUHTANMWCPFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • secondary amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound
  • amphetamine or derivatives
  • amine