Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:24 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158872
Frequency0.5
Structure
Chemical FormulaC13H16N2
Molecular Mass200.1313
SMILESc1ccc2c(CNCC3CC3)c[nH]c2c1
InChI KeyNVELXNJVOOGVNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • secondary amine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine