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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:32:22 UTC
Update Date2025-03-24 21:40:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01854300
Frequency0.7
Structure
Chemical FormulaC41H53NO27
Molecular Mass991.2805
SMILESCC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(O)C(O)C3O)OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyZFAHVOITBDLJRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-3-o-glycosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • acetamides
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chromones
  • flavonoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyranones and derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • flavonoid-3-o-glycoside
  • organonitrogen compound
  • pyranone
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • 3'-hydroxyflavonoid
  • oxacycle
  • secondary carboxylic acid amide
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound