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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157304
Frequency0.5
Structure
Chemical FormulaC11H12O12
Molecular Mass336.0329
SMILESO=C1OC(C(=O)O)C(OC2C(C(=O)O)OC(O)C(O)C2O)=C1O
InChI KeyPXNULMRGNNJNNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • butenolides
  • carbonyl compounds
  • carboxylic acids
  • dihydrofurans
  • enoate esters
  • hemiacetals
  • hydrocarbon derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
  • vinylogous esters
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • dihydrofuran
  • enoate ester
  • alcohol
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative