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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:51 UTC
Update Date2025-03-21 18:36:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112403
Frequency23.6
Structure
Chemical FormulaC14H20O
Molecular Mass204.1514
SMILESCC=C(C)C(=O)C1=C(C)C=CCC1(C)C
InChI KeyXGECLBYWDHWHEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • alpha-branched alpha,beta-unsaturated-ketone
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative