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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:05 UTC
Update Date2025-03-25 00:48:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169497
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESCCCN=C(O)c1ccccc1OC(C)=O
InChI KeyHTEPLUGIKABCSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • carbonyl group
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound