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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:05 UTC
Update Date2025-03-25 00:49:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176403
Frequency0.5
Structure
Chemical FormulaC13H25NO3
Molecular Mass243.1834
SMILESCC(O)CCCCCCC=CC(=O)C(N)CO
InChI KeyRKDMPFANJDGQMQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • beta-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • ketone
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • enone