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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:06 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105682
Frequency25.5
Structure
Chemical FormulaC17H22O7
Molecular Mass338.1366
SMILESO=C1CCC(Cc2ccc(OC3CC(O)C(O)C(O)C3O)cc2)O1
InChI KeyPVGMZLKNNKTDAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • cyclohexanols
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound