Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:55 UTC
Update Date2025-03-21 17:57:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00010651
Frequency440.3
Structure
Chemical FormulaC11H15NO2
Molecular Mass193.1103
SMILESCN(C)CCOC(=O)c1ccccc1
InChI KeyKJSGODDTWRXQRH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • benzoyl derivatives
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • amino acid or derivatives
  • tertiary aliphatic amine
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound