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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:03 UTC
Update Date2025-03-21 18:40:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131928
Frequency19.2
Structure
Chemical FormulaC17H32O4
Molecular Mass300.2301
SMILESCC(C)C(=O)OC(C(=O)COC(C(C)C)C(C)C)C(C)C
InChI KeyUZFFFKAUKAFOAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • ether
  • alpha-acyloxy ketone
  • carboxylic acid derivative
  • dialkyl ether
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative