Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:18 UTC
Update Date2025-03-25 00:55:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213628
Frequency0.5
Structure
Chemical FormulaC7H10O4
Molecular Mass158.0579
SMILESCOC(=O)C1(CC(=O)O)CC1
InChI KeyVOTNTGATTLAURM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclopropanecarboxylic acids and derivatives
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclopropanecarboxylic acid or derivatives
  • carboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound