Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:24 UTC
Update Date2025-03-21 18:33:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096587
Frequency28.6
Structure
Chemical FormulaC11H17NO2
Molecular Mass195.1259
SMILESCc1ncc(CO)c(C(C)(C)C)c1O
InChI KeyWMYXGXYTKZDNKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound