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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:34:21 UTC
Update Date2025-03-25 00:44:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02142621
Frequency0.6
Structure
Chemical FormulaC59H100O9
Molecular Mass952.7367
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC3C3CCC4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1
InChI KeyRHDZEKKQVBLGMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • diterpene glycosides
  • diterpenoids
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • abietane diterpenoid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • diterpene glycoside
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • terpene glycoside
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • diterpenoid