Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:46:07 UTC
Update Date2025-03-21 22:56:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00595009
Frequency2.7
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC(O)C(=O)C(C)C(C)C
InChI KeyJSVLDYWDKGTWJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • ketone
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • alpha-hydroxy ketone