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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:55 UTC
Update Date2025-03-25 00:45:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150955
Frequency0.5
Structure
Chemical FormulaC22H38O19
Molecular Mass606.2007
SMILESO=C(O)C1(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)CC(O)C(CO)C(C(O)C(O)CO)O1
InChI KeyPVPCJCYYIFXLAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative