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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:37 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195745
Frequency0.5
Structure
Chemical FormulaC24H32O16
Molecular Mass576.169
SMILESCC1OC(OC2C(C(=O)O)OC(Oc3cc(CC4CCC(=O)O4)cc(O)c3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyAONIYKPVRNFTHE-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
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxepane
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound