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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:40:32 UTC
Update Date2025-03-24 20:51:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01587549
Frequency0.8
Structure
Chemical FormulaC7H12N2O
Molecular Mass140.095
SMILESO=C1NC2CCCN1CC2
InChI KeyXYOAFACXUKRTDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepanes
  • carbonyl compounds
  • diazinanes
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
    • Substituents
  • 1,3-diazepane
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • pyrimidone
  • pyrimidine
  • aliphatic heteropolycyclic compound
  • 1,3-diazinane
  • organic oxide
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound