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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:02 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251791
Frequency0.5
Structure
Chemical FormulaC8H12O8
Molecular Mass236.0532
SMILESO=CC(O)C(=O)OC1OC(CO)C(O)C1O
InChI KeyCHPNJZFUBJQBSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acetals
  • alpha-hydroxyaldehydes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • monosaccharide
  • aldehyde
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • alpha-hydroxyaldehyde
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • primary alcohol
  • organoheterocyclic compound