Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:05:43 UTC
Update Date2025-03-24 20:36:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01503294
Frequency0.8
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCc1ccc(CCO)nn1
InChI KeyXPUVELGMRUTLDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyridazines and derivatives
Direct Parent pyridazines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • pyridazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound