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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:41 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157329
Frequency0.5
Structure
Chemical FormulaC18H30O16
Molecular Mass502.1534
SMILESO=C1OC(CO)C(OC2OC(CO)C(O)C(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C1O
InChI KeyCJWGIBVWOPNNPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent gluconolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • carbonyl group
  • ether
  • delta valerolactone
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • organic oxide
  • gluconolactone
  • acetal
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative