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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:44 UTC
Update Date2025-03-21 18:35:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104791
Frequency25.8
Structure
Chemical FormulaC13H26O2
Molecular Mass214.1933
SMILESCC(C)CC(COC(=O)C(C)C)C(C)C
InChI KeyCWNFLDPOKVAZBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound