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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:23 UTC
Update Date2025-03-21 18:37:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116122
Frequency22.6
Structure
Chemical FormulaC11H21NO2
Molecular Mass199.1572
SMILESCCCCCC(O)C(=C=O)NCCC
InChI KeyQAVUENMMCSQTOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • ynolate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine