Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:22:40 UTC
Update Date2025-03-21 19:13:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00256857
Frequency8.1
Structure
Chemical FormulaC6H8O
Molecular Mass96.0575
SMILESC=CC(=O)C1CC1
InChI KeyTWFKEGONKTUVSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • organic oxide
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • alpha,beta-unsaturated ketone