Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:19:35 UTC
Update Date2025-03-24 21:07:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01681174
Frequency0.7
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESOCc1c[nH]c2cccn12
InChI KeyRJOHPIWMUAANCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-substituted imidazole