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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:35:14 UTC
Update Date2025-03-24 13:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00711063
Frequency2.2
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESO=C(O)CCCCC1CO1
InChI KeyIUWHMFHZPLBCPO-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
  • epoxides
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • heterocyclic fatty acid
  • oxirane
  • fatty acid
  • carboxylic acid derivative
  • 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
  • organoheterocyclic compound
  • organooxygen compound