Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:40 UTC
Update Date2025-03-21 18:33:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094800
Frequency29.3
Structure
Chemical FormulaC8H12N2O
Molecular Mass152.095
SMILESCCc1nc(C)ncc1CO
InChI KeyAQACCWQHRPMWDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound