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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:41 UTC
Update Date2025-03-25 00:52:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195917
Frequency0.5
Structure
Chemical FormulaC25H40O11
Molecular Mass516.2571
SMILESCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CC(O)C1C2CC(O)C2(C)CCC(O)C12O
InChI KeyMMRLMNDGQVAENH-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
  • 12-hydroxysteroids
  • 14-hydroxysteroids
  • 7-hydroxysteroids
  • acetals
  • androstane steroids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • 12-hydroxysteroid
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxysteroid
  • hydroxy acid
  • cyclic alcohol
  • 7-hydroxysteroid
  • 14-hydroxysteroid
  • oxacycle
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • androstane-skeleton
  • pyran
  • secondary alcohol
  • steroid-glucuronide-skeleton
  • hydrocarbon derivative
  • 15-hydroxysteroid
  • organooxygen compound