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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:31:36 UTC
Update Date2025-03-24 13:57:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00702076
Frequency2.2
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=C(C)C(=O)C(C)(C)O
InChI KeyTXLFTINZKIKDIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative
  • acryloyl-group
  • enone