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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:32 UTC
Update Date2025-03-21 18:07:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068190
Frequency44.4
Structure
Chemical FormulaC12H27NO6
Molecular Mass281.1838
SMILESOCCNCCOCCOCCOCCOCCO
InChI KeyGSMROQGMVARWRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent alkanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkyl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • ether
  • secondary amine
  • dialkyl ether
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine