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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:47 UTC
Update Date2025-03-25 00:53:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198441
Frequency0.5
Structure
Chemical FormulaC8H12O9
Molecular Mass252.0481
SMILESO=C(O)C1OC(O)(C(O)CO)C(O)C(O)C1=O
InChI KeyIZRMTYCZIROBJO-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
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • cyclic ketones
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound