Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:12:42 UTC
Update Date2025-03-24 20:13:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01377836
Frequency0.9
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESOC1CCc2ncccc21
InChI KeyNIRSJDGVNWIEOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound