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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:17:14 UTC
Update Date2025-03-25 00:38:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02102845
Frequency0.6
Structure
Chemical FormulaC8H11NO
Molecular Mass137.0841
SMILESC=C(C)C(=O)C1=NCCC1
InChI KeyRUHSIKMKGOJXHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • ketimine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound