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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:59 UTC
Update Date2025-03-25 00:48:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169257
Frequency0.5
Structure
Chemical FormulaC15H21NO2
Molecular Mass247.1572
SMILESCCN(CC)c1ccc(CC2CCC(=O)O2)cc1
InChI KeyQFFRKUWGZOEEJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aniline and substituted anilines
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • organopnictogen compound
  • dialkylarylamine
  • organoheterocyclic compound
  • tetrahydrofuran
  • aniline or substituted anilines
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound