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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:54 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178324
Frequency0.5
Structure
Chemical FormulaC19H24O6
Molecular Mass348.1573
SMILESCOC(=O)C1OC(Oc2ccc(CC3CCC(=O)O3)cc2)C(C)C1C
InChI KeyIHNJMDDKZOQQRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound