Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:32:31 UTC
Update Date2025-03-24 14:28:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00849016
Frequency1.7
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(C)C(=O)COC=O
InChI KeySJKIELSWVCMMTR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-acyloxy ketone
  • carboxylic acid ester
  • hydrocarbon derivative
  • carboxylic acid derivative