Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:52 UTC
Update Date2025-03-21 18:04:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052486
Frequency72.7
Structure
Chemical FormulaC4H6N2O
Molecular Mass98.048
SMILESOCc1ccn[nH]1
InChI KeyUIEABCXJWANXFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
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
  • pyrazole
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound