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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:47 UTC
Update Date2025-03-25 00:47:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161932
Frequency0.5
Structure
Chemical FormulaC27H30O11
Molecular Mass530.1788
SMILESO=C(O)C1OC(Oc2cccc(CC3C(Cc4cccc(O)c4)COC4COC(=O)C43)c2)C(O)C(O)C1O
InChI KeyPCYDLKAULHIFTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • aromatic monoterpenoids
  • beta hydroxy acids and derivatives
  • bicyclic monoterpenoids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • furans
  • furopyrans
  • gamma butyrolactones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • iridoids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • terpene lactones
  • tetrahydrofurans
    • Substituents
  • furan
  • monoterpenoid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • lactone
  • 1-o-glucuronide
  • terpene lactone
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • secoiridoid-skeleton
  • hydroxy acid
  • furopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • benzenoid
  • phenoxy compound
  • aromatic monoterpenoid