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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:40:14 UTC
Update Date2025-03-21 17:58:40 UTC
HMDB IDHMDB0127725
Metabolite Identification
DeepMet IDDMID00015927
Name6-{[3,5-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency270.6
Structure
Chemical FormulaC27H32O17
Molecular Mass628.164
SMILESO=C(O)C1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c2)C(O)C3)C(O)C(O)C1O
InChI KeyWCVOGCMOBWLHPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-7-o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • catechins
  • flavonoid-7-o-glycosides
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carboxylic acid
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • catechin
  • oxane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • primary alcohol
  • flavonoid-7-o-glycoside
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • flavonoid-7-o-glucuronide
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • benzenoid
  • organooxygen compound