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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:38:37 UTC
Update Date2025-03-21 17:58:07 UTC
HMDB IDHMDB0035013
Metabolite Identification
DeepMet IDDMID00012268
Name2-Phenylethyl propanoate
Frequency371.4
Structure
Chemical FormulaC11H14O2
Molecular Mass178.0994
SMILESCCC(=O)OCCc1ccccc1
InChI KeyHVGZQCSMLUDISR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound