Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:52 UTC
Update Date2025-03-21 17:58:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017265
Frequency244.8
Structure
Chemical FormulaC14H21NO3
Molecular Mass251.1521
SMILESCC(C)(CO)C(O)C(=O)NCCc1ccccc1
InChI KeyBBSQBUGSMJQAQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty amides
Direct Parent n-acyl amines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • monosaccharide
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • saccharide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound