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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:31 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163601
Frequency0.5
Structure
Chemical FormulaC27H44O11
Molecular Mass544.2884
SMILESCC12CCC(OC3C(C(=O)O)OC(O)C(O)C3O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO
InChI KeyJLGBYAWIRSRPRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsteroids and steroid derivatives
Subclass hydroxysteroids
Direct Parent 21-hydroxysteroids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 11-hydroxysteroids
  • 17-hydroxysteroids
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pregnane steroids
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • tertiary alcohols
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • 21-hydroxysteroid
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • 17-hydroxysteroid
  • alcohol
  • pyran carboxylic acid or derivatives
  • cyclic alcohol
  • oxacycle
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • pregnane-skeleton
  • organooxygen compound