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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:57:40 UTC
Update Date2025-03-21 23:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00621867
Frequency2.6
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC(C)=C(C)C(=O)C=O
InChI KeyJPDPKFAZDDRBBJ-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
  • alpha ketoaldehydes
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • aldehyde
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha-ketoaldehyde
  • enone