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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:22:18 UTC
Update Date2025-03-24 20:17:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01400292
Frequency0.9
Structure
Chemical FormulaC7H8O2
Molecular Mass124.0524
SMILESC=C(C)C(=O)C(C)=C=O
InChI KeyCTPLNZZRPLAELD-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
  • ketenes
  • ketones
  • organic oxides
  • ynolates
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • ketone
  • organic oxide
  • ynolate
  • hydrocarbon derivative
  • acryloyl-group
  • ketene
  • enone