Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:27 UTC
Update Date2025-03-25 00:55:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213968
Frequency0.5
Structure
Chemical FormulaC13H19NO2
Molecular Mass221.1416
SMILESCCCCCOC(=O)Nc1ccccc1C
InChI KeySGUYMWSRJYGWEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylcarbamic acid esters
Direct Parent phenylcarbamic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • toluenes
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • carbamic acid ester
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • phenylcarbamic acid ester
  • organic nitrogen compound
  • toluene
  • organooxygen compound