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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:04 UTC
Update Date2025-03-25 01:01:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247309
Frequency0.5
Structure
Chemical FormulaC13H20N2O2
Molecular Mass236.1525
SMILESCCCNCCC(=O)Nc1ccccc1OC
InChI KeyGTDQEHITSBMQGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anilides
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • n-arylamide
  • alkyl aryl ether
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • methoxybenzene
  • beta amino acid or derivatives
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine