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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:03 UTC
Update Date2025-03-21 18:30:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00083892
Frequency34.3
Structure
Chemical FormulaC13H14O2
Molecular Mass202.0994
SMILESC=CC1=C(C)C(=O)C(C)=C1C(=O)C=CC
InChI KeyLTMHFYYDXWXBIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • ketone
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone
  • alpha,beta-unsaturated ketone