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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:32 UTC
Update Date2025-03-25 00:46:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156990
Frequency0.5
Structure
Chemical FormulaC12H12O3
Molecular Mass204.0786
SMILESC=CC(=O)OC(C(C)=O)c1ccccc1
InChI KeyCSINQXXQHGTNMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-acyloxy ketones
  • enoate esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
    • Substituents
  • benzyloxycarbonyl
  • enoate ester
  • carbonyl group
  • alpha-acyloxy ketone
  • carboxylic acid derivative
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound