Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:51 UTC
Update Date2025-03-21 18:37:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114816
Frequency23.0
Structure
Chemical FormulaC10H13NO2
Molecular Mass179.0946
SMILESCC1(C)OCC(c2cccnc2)O1
InChI KeyCOBAQDZFXSWLFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketals
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • oxacycle
  • organic oxygen compound
  • acetal
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound