Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:10:52 UTC
Update Date2025-03-21 22:11:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00510942
Frequency3.3
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCC1C=CC(=O)C(C)(C)C1
InChI KeyPITBTMDYVRATGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • cyclohexenone
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative