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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:31 UTC
Update Date2025-03-25 00:48:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165923
Frequency0.5
Structure
Chemical FormulaC12H20O3
Molecular Mass212.1412
SMILESCC1=CCC(C)(C(C)CCC(=O)O)OC1
InChI KeyYGEOXGXOZSDNTH-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
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • pyrans
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • methyl-branched fatty acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound