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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:07 UTC
Update Date2025-03-21 18:05:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00055341
Frequency57.9
Structure
Chemical FormulaC9H12O7
Molecular Mass232.0583
SMILESO=C(O)CCC1=C(O)C(=O)OC1C(O)CO
InChI KeyJZGHGYXNKLJPDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound
  • 1,2-diol