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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:18 UTC
Update Date2025-03-25 00:50:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183714
Frequency0.5
Structure
Chemical FormulaC12H16O12
Molecular Mass352.0642
SMILESO=C1OC(COC2(C(=O)O)CC(O)C(O)C(C(=O)O)O2)C(O)C1O
InChI KeyOUOIVKRGUFOOAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • gamma butyrolactones
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • lactone
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxy acid
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound