Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:45 UTC
Update Date2025-03-25 01:00:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244174
Frequency0.5
Structure
Chemical FormulaC20H33NO2
Molecular Mass319.2511
SMILESCCCCCCCCCCCCCC(=O)Oc1ccccc1N
InChI KeySLSGIIOHMBSNIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound