Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:26 UTC
Update Date2025-03-21 18:37:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113830
Frequency23.2
Structure
Chemical FormulaC13H16N2O
Molecular Mass216.1263
SMILESCN(C)CCC(=O)c1c[nH]c2ccccc12
InChI KeyLAHVNBMMXFLOQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • azacyclic compounds
  • benzenoids
  • beta-amino ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • aryl alkyl ketone
  • azacycle
  • indole
  • heteroaromatic compound
  • tertiary aliphatic amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • beta-aminoketone
  • amine
  • tertiary amine
  • organooxygen compound
  • aryl ketone