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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:25:45 UTC
Update Date2025-03-21 18:39:07 UTC
HMDB IDHMDB0034990
Metabolite Identification
DeepMet IDDMID00124068
Name4-Methoxybenzyl propanoate
Frequency20.7
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCCC(=O)OCc1ccc(OC)cc1
InChI KeyYWIJRJQYADFRTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • Substituents
  • benzyloxycarbonyl
  • phenol ether
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound