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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:18 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163117
Frequency0.5
Structure
Chemical FormulaC7H10O5
Molecular Mass174.0528
SMILESO=C(O)C12CC(O)C(O)C(C1)O2
InChI KeyXIMQUAKQYAEOON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • oxetanes
  • secondary alcohols
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • oxane
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclic alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound