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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:35 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195684
Frequency0.5
Structure
Chemical FormulaC15H26O13
Molecular Mass414.1373
SMILESCC1OC(OC(=O)C(OC(C(O)C=O)C(O)CO)C(O)CO)C(O)C(O)C1O
InChI KeyYQCTZHLZZRLWPR-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 heteromonocyclic compounds
Alternative Parents
  • acetals
  • alpha-hydroxyaldehydes
  • carboxylic acid esters
  • dialkyl ethers
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • aldehyde
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound