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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:26 UTC
Update Date2025-03-25 00:49:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172596
Frequency0.5
Structure
Chemical FormulaC16H25NO3
Molecular Mass279.1834
SMILESCCCC(=O)c1ccc(OCC(O)CNC(C)C)cc1
InChI KeyXUTNMYSCWZMRGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • benzoyl
  • alkyl aryl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • butyrophenone
  • aromatic homomonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • alkyl-phenylketone
  • amine