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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:30 UTC
Update Date2025-03-25 01:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245951
Frequency0.5
Structure
Chemical FormulaC23H32O13
Molecular Mass516.1843
SMILESCC1OC(OC2C(O)C(O)C(Oc3ccc(CC4CCC(=O)O4)cc3O)C(O)C2O)C(O)C(O)C1O
InChI KeyNEDCBFZXNYCZHX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • cyclohexanols
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound