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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:54 UTC
Update Date2025-03-25 00:52:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196394
Frequency0.5
Structure
Chemical FormulaC15H18N2O2
Molecular Mass258.1368
SMILESCCC1=C(C)C(=O)NC1CC1=NC2=C1CCCC2=O
InChI KeyYRNAXXVGGIQYOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • cyclohexenone
  • ketimine
  • lactam
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound