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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:58 UTC
Update Date2025-03-25 00:58:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230914
Frequency0.5
Structure
Chemical FormulaC29H54O11
Molecular Mass578.3666
SMILESCCCCCCCCCCCCCCCC(=O)OC1CC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyKYCWQFKNSBIXCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • Substituents
  • fatty acyl
  • carbonyl group
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound