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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:58 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162368
Frequency0.5
Structure
Chemical FormulaC17H18O10
Molecular Mass382.09
SMILESO=C(O)CCC(=O)OC(CCCOC(=O)c1ccccc1C(=O)O)C(=O)O
InChI KeyDJZCNUWLMPUQEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass pentacarboxylic acids and derivatives
Direct Parent pentacarboxylic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • benzoic acid esters
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • benzoate ester
  • pentacarboxylic acid or derivatives
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound