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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:40 UTC
Update Date2025-03-25 00:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232536
Frequency0.5
Structure
Chemical FormulaC15H21NO2
Molecular Mass247.1572
SMILESCCC=CCCC(=O)NCc1cccc(OC)c1
InChI KeyHIEXIXWJWDDAAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • fatty amide
  • alkyl aryl ether
  • carboxamide group
  • carboxylic acid derivative
  • methoxybenzene
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound