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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:28 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165835
Frequency0.5
Structure
Chemical FormulaC13H20O9
Molecular Mass320.1107
SMILESCC1C=CC(C(=O)O)OC1OC(C(O)CO)C(O)C(O)C=O
InChI KeyHHJQZWMACWSZDS-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-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • fatty alcohols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • fatty acyl
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • fatty alcohol
  • aliphatic heteromonocyclic compound
  • primary alcohol
  • alcohol
  • pyran carboxylic acid or derivatives
  • aldehyde
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound