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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:32 UTC
Update Date2025-03-25 00:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163632
Frequency0.5
Structure
Chemical FormulaC27H42O9
Molecular Mass510.2829
SMILESCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2CCC2CC(C(=O)O)CCC21C
InChI KeyIJADVCDHQAIDIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • sesquiterpenoids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • organic oxide
  • sesquiterpenoid
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative