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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:57 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155716
Frequency0.5
Structure
Chemical FormulaC13H18O
Molecular Mass190.1358
SMILESCc1cccc(C(=O)C(C)(C)C)c1C
InChI KeyAAYZRNXUGXYDAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
  • o-xylenes
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • o-xylene
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone