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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:27 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245868
Frequency0.5
Structure
Chemical FormulaC20H30O6
Molecular Mass366.2042
SMILESCC1C(Oc2ccc(CCCCC(=O)O)cc2)OC(C(O)O)C(C)C1C
InChI KeyGIDALCJCQXUUMK-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 aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • acetal
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound