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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:04 UTC
Update Date2025-03-25 00:54:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208259
Frequency0.5
Structure
Chemical FormulaC13H24O3
Molecular Mass228.1725
SMILESCC(CCCC1(C)OCCCC1C)C(=O)O
InChI KeySRQCFIAKCNWXRR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • methyl-branched fatty acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • oxane
  • organoheterocyclic compound
  • organooxygen compound