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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:17 UTC
Update Date2025-03-25 00:50:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181479
Frequency0.5
Structure
Chemical FormulaC12H20O4
Molecular Mass228.1362
SMILESO=C(O)CCCCC1COC2CC(O)CC12
InChI KeyNAZFFFXETZZWSD-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
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • tetrahydrofuran
  • heterocyclic fatty acid
  • fatty acid
  • cyclic alcohol
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • organooxygen compound