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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:14 UTC
Update Date2025-03-25 00:54:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208688
Frequency0.5
Structure
Chemical FormulaC27H40O10
Molecular Mass524.2621
SMILESCC(=O)OC1CC2C(CCC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC32C)C2CCC(=O)C12C
InChI KeyNGDJHKCSWBABOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroidal glycosides
Direct Parent steroid glucuronide conjugates
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 17-oxosteroids
  • acetals
  • androstane steroids
  • beta hydroxy acids and derivatives
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • ketones
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • steroid esters
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • oxosteroid
  • hydroxy acid
  • steroid ester
  • oxacycle
  • organic oxygen compound
  • androstane-skeleton
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • steroid-glucuronide-skeleton
  • 17-oxosteroid
  • hydrocarbon derivative
  • organooxygen compound