Hmdb loader

Showing information for DMID00146134

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:35:13 UTC
Update Date2025-03-21 18:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00146134
Frequency16.8
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=C(O)C(=O)CC(C)C
InChI KeyKXKYFOFCDIWAFR-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-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone