Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:40:52 UTC
Update Date2025-03-25 00:22:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01301620
Frequency1.0
Structure
Chemical FormulaC8H12N2
Molecular Mass136.1
SMILESc1cc(C2CCNC2)c[nH]1
InChI KeyQDNRQIPXDBXVDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine