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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:26 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125671
Frequency20.4
Structure
Chemical FormulaC10H10O2
Molecular Mass162.0681
SMILESCC=CC(=O)Oc1ccccc1
InChI KeyTXSXJLMEOQAASX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • enoate ester
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound