Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:39:22 UTC
Update Date2025-03-25 01:08:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02291158
Frequency0.5
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESOCc1c[nH]c2c[nH]cc12
InChI KeyXVYPDUBNEUWMKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • 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