Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:45 UTC
Update Date2025-03-21 18:29:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00078381
Frequency37.3
Structure
Chemical FormulaC15H24N2O3
Molecular Mass280.1787
SMILESCC(=O)NCc1ccc(OCC(O)CNC(C)C)cc1
InChI KeyIGUMCQGTANJTCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl aryl ethers
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine