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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:40:30 UTC
Update Date2025-03-24 21:17:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01731519
Frequency0.7
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESC=CC=CC(=O)C(C)(C)O
InChI KeyHAYBOLSRZOJKRQ-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-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • ketone
  • tertiary alcohol
  • organic oxide
  • acyloin
  • hydrocarbon derivative
  • acryloyl-group
  • enone