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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:12 UTC
Update Date2025-03-25 00:54:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208573
Frequency0.5
Structure
Chemical FormulaC17H18O3
Molecular Mass270.1256
SMILESCC(C)(CC(=O)Oc1ccccc1)c1ccc(O)cc1
InChI KeyXWNYKBAKAQPDBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol esters
Subclass phenol esters
Direct Parent phenol esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylpropanes
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound