Hmdb loader

Showing information for DMID02512453

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:14:17 UTC
Update Date2025-03-25 01:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02512453
Frequency0.5
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESCOC(=O)C(C=O)OC
InChI KeyQKHALHCFBSZCMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
    • Substituents
  • aliphatic acyclic compound
  • short-chain aldehyde
  • ether
  • aldehyde
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • carboxylic acid ester
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound