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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:58 UTC
Update Date2025-03-25 00:50:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182993
Frequency0.5
Structure
Chemical FormulaC9H12N2O2
Molecular Mass180.0899
SMILESO=c1ncc(C2CCC(O)C2)c[nH]1
InChI KeyFURACRJRUJRGLQ-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
  • cyclic alcohols and derivatives
  • cyclopentanols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • cyclic alcohol
  • cyclopentanol
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound