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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:39 UTC
Update Date2025-03-25 00:47:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159441
Frequency0.5
Structure
Chemical FormulaC12H18O12
Molecular Mass354.0798
SMILESO=CC(OC1OC(C(=O)O)C(O)(C(=O)O)CC1O)C(O)C(O)CO
InChI KeyNIMLKVPCFXJJSJ-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
  • acetals
  • alpha hydroxy acids and derivatives
  • beta-hydroxy aldehydes
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • alcohol
  • pyran carboxylic acid or derivatives
  • aldehyde
  • hydroxy acid
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound