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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:50 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193963
Frequency0.5
Structure
Chemical FormulaC11H14O3
Molecular Mass194.0943
SMILESCCOc1ccccc1OC(=O)CC
InChI KeyRTNYSQYBXIRAAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound