Hmdb loader

Showing information for DMID00124953

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:08 UTC
Update Date2025-03-21 18:39:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124953
Frequency20.6
Structure
Chemical FormulaC7H10O5
Molecular Mass174.0528
SMILESCOC(=O)C(=O)C(C)C(=O)OC
InChI KeyVWJXAXXLEPMWJY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass beta-keto acids and derivatives
Direct Parent beta-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha-keto acids and derivatives
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • ketones
  • methyl esters
  • organic oxides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • fatty acid ester
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound