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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:46 UTC
Update Date2025-03-21 18:38:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121805
Frequency21.3
Structure
Chemical FormulaC34H65NO8
Molecular Mass615.471
SMILESCCCCCCCCCCCC(O)CC(=O)NC1COC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI KeyURDRRQNFCGJCSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound