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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:17 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163074
Frequency0.5
Structure
Chemical FormulaC23H34O15
Molecular Mass550.1898
SMILESO=C(CCC(O)Cc1ccc(O)c(O)c1)OC1C(O)C(O)C(OC2C(CO)OC(O)C(O)C2O)C(O)C1O
InChI KeyGNRDXFKVMVTITE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • dialkyl ethers
  • fatty acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • saccharide
  • organic oxide
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid