Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:27 UTC
Update Date2025-03-21 18:04:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00051520
Frequency63.4
Structure
Chemical FormulaC9H10N2O
Molecular Mass162.0793
SMILESOCCc1c[nH]c2cnccc12
InChI KeyBDQGSIMZZVTJTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound