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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:43 UTC
Update Date2025-03-25 00:47:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164083
Frequency0.5
Structure
Chemical FormulaC27H46O11
Molecular Mass546.304
SMILESCC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CC(O)C2(C)C1CC(O)C2(O)C(O)CO
InChI KeyBTRFNIUPRRXGIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass steroidal glycosides
Direct Parent steroidal glycosides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 12-hydroxysteroids
  • 16-hydroxysteroids
  • 17-hydroxysteroids
  • 21-hydroxysteroids
  • acetals
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • pregnane steroids
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • 20-hydroxysteroid
  • 12-hydroxysteroid
  • steroidal glycoside
  • 16-hydroxysteroid
  • monosaccharide
  • aliphatic heteropolycyclic compound
  • saccharide
  • acetal
  • 21-hydroxysteroid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • 17-hydroxysteroid
  • alcohol
  • hydroxysteroid
  • cyclic alcohol
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • pregnane-skeleton
  • organooxygen compound