Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:08:09 UTC
Update Date2025-03-21 18:30:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00081744
Frequency35.4
Structure
Chemical FormulaC8H10N2O
Molecular Mass150.0793
SMILESc1cncc(C2NCCO2)c1
InChI KeyXGNZSQNESSJMBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridines and derivatives
Direct Parent pyridines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • oxacycle
  • pyridine
  • organic oxygen compound
  • oxazolidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine