Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:38:28 UTC
Update Date2025-03-21 18:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00153678
Frequency15.7
Structure
Chemical FormulaC8H11NO
Molecular Mass137.0841
SMILESCc1cnc(C)c(CO)c1
InChI KeyXDBBDSXKVUTSAG-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
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound