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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:22 UTC
Update Date2025-03-25 00:57:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227437
Frequency0.5
Structure
Chemical FormulaC13H20O3
Molecular Mass224.1412
SMILESC=CC1C2CCC(O2)C1CCCCC(=O)O
InChI KeyWALGEHBOTCBDKM-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 heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • tetrahydrofuran
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound