Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:09 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098422
Frequency28.0
Structure
Chemical FormulaC11H20O7
Molecular Mass264.1209
SMILESCCOC(=O)C(O)C(O)C(OCC)C(=O)OCC
InChI KeyRVCPDNWAKGFVRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • fatty acid ester
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol