Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:20 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183805
Frequency0.5
Structure
Chemical FormulaC17H19N3O
Molecular Mass281.1528
SMILESOC(CNCCc1c[nH]c2ccccc12)c1cccnc1
InChI KeyHEWROOGOPNBMJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine