Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:44:57 UTC
Update Date2025-03-21 21:57:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00449754
Frequency3.9
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCCc1nccc(=O)n1C
InChI KeyALNAYPQRAUSZOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound