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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:19 UTC
Update Date2025-03-25 01:01:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247836
Frequency0.5
Structure
Chemical FormulaC12H22O
Molecular Mass182.1671
SMILESCC(=O)C(=CC(C)C)CCC(C)C
InChI KeyFIFKLGBEENTZKP-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 acyclic compounds
Alternative Parents
  • acryloyl compounds
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone