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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:03 UTC
Update Date2025-03-25 00:54:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208251
Frequency0.5
Structure
Chemical FormulaC30H48O9
Molecular Mass552.3298
SMILESCC(CCC(=O)O)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C
InChI KeyANQAMYUUFPBBMF-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
  • acetals
  • bile acids, alcohols and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • delta-5-steroids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • carbonyl group
  • 12-hydroxysteroid
  • carboxylic acid
  • steroidal glycoside
  • monosaccharide
  • carboxylic acid derivative
  • bile acid, alcohol, or derivatives
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • delta-5-steroid
  • alcohol
  • hydroxysteroid
  • cyclic alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound