Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:31:19 UTC
Update Date2025-03-21 18:41:58 UTC
HMDB IDHMDB0031618
Metabolite Identification
DeepMet IDDMID00137083
NameEthyl 4-phenylbutanoate
Frequency18.2
Structure
Chemical FormulaC12H16O2
Molecular Mass192.115
SMILESCCOC(=O)CCCc1ccccc1
InChI KeyGGFNXKFGVQQNRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound