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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:16 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163069
Frequency0.5
Structure
Chemical FormulaC23H26O9
Molecular Mass446.1577
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OCOc1ccc(CC2CCC(=O)O2)cc1O
InChI KeyRVDONSFEZPCYBY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • lactone
  • organic oxide
  • acetal
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound