Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:09:35 UTC
Update Date2025-03-21 18:31:17 UTC
HMDB IDHMDB0251369
Metabolite Identification
DeepMet IDDMID00085149
Name5,5-Dimethyl-1,3-cyclohexanedione
Frequency33.6
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC1(C)CC(=O)CC(=O)C1
InChI KeyBADXJIPKFRBFOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclic ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic ketone