Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:12 UTC
Update Date2025-03-21 18:34:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100995
Frequency27.1
Structure
Chemical FormulaC9H14O6
Molecular Mass218.079
SMILESCCC(O)(CC(=O)O)CC(=O)OC(C)=O
InChI KeyNAXAOQQJWYKCGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid anhydrides
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tricarboxylic acid or derivatives
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • carboxylic acid anhydride
  • hydrocarbon derivative
  • organooxygen compound