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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:44:15 UTC
Update Date2025-03-21 18:00:04 UTC
HMDB IDHMDB0038605
Metabolite Identification
DeepMet IDDMID00024890
NameAmyl phenylacetate
Frequency155.8
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCCCCCOC(=O)Cc1ccccc1
InChI KeyLRVLBFSVAFUOGO-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