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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:49 UTC
Update Date2025-03-25 00:51:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189529
Frequency0.5
Structure
Chemical FormulaC36H59NO12
Molecular Mass697.4037
SMILESCC(CCC(=O)NCC(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3C(O)CC12C
InChI KeyRJJSJUAQBUJSEE-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
  • 11-hydroxysteroids
  • 7-hydroxysteroids
  • acetals
  • acyl glycines
  • alpha amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dicarboxylic acids and derivatives
  • diterpene glycosides
  • diterpenoids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl amines
  • o-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • alpha-amino acid or derivatives
  • pyran carboxylic acid
  • diterpene glycoside
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • organonitrogen compound
  • alpha-amino acid
  • oxane
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • n-acyl-alpha-amino acid
  • 7-hydroxysteroid
  • n-acylglycine
  • secondary carboxylic acid amide
  • dicarboxylic acid or derivatives
  • steroid-glucuronide-skeleton
  • hydrocarbon derivative
  • 11-hydroxysteroid
  • diterpenoid
  • fatty acyl
  • carbonyl group
  • glucuronic acid or derivatives
  • abietane diterpenoid
  • fatty amide
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organopnictogen compound
  • pyran carboxylic acid or derivatives
  • hydroxysteroid
  • terpene glycoside
  • hydroxy acid
  • cyclic alcohol
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • organic nitrogen compound
  • organooxygen compound