Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:22 UTC
Update Date2025-03-25 00:56:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220734
Frequency0.5
Structure
Chemical FormulaC20H34O9
Molecular Mass418.2203
SMILESO=C(O)CCCCCCCCCCC(=O)OCOC(=O)CCCC(O)CC(=O)O
InChI KeyPICUVNIOZLKXRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tetracarboxylic acids and derivatives
Direct Parent tetracarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetals
  • acylals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tetracarboxylic acid or derivatives
  • hydroxy acid
  • acylal
  • fatty acid ester
  • beta-hydroxy acid
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound