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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:57 UTC
Update Date2025-03-21 18:05:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054914
Frequency58.4
Structure
Chemical FormulaC7H12O8
Molecular Mass224.0532
SMILESO=C(O)C1(O)CC(O)C(O)C(C(O)O)O1
InChI KeyJLMIDSXYNNHFAD-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
  • 1,1-diols
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carbonyl hydrate
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1,1-diol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound