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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:06 UTC
Update Date2025-03-25 00:52:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196836
Frequency0.5
Structure
Chemical FormulaC13H23NO3
Molecular Mass241.1678
SMILESCCC=CC(O)CCC(O)=NCC(O)=CCC
InChI KeyGHGVCWBIYWIILL-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
  • alkanolamines
  • carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkanolamine