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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:09:41 UTC
Update Date2025-03-25 01:44:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02501728
Frequency0.5
Structure
Chemical FormulaC42H48O27
Molecular Mass984.2383
SMILESCOc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3C(c3cc(OC)c(OC)c(OC)c3)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyRFALKVDEYDHVTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzo-1,3-dioxanes
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • 4-phenylbenzo-1,3-dioxane
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • oxane
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • benzo-1,3-dioxane
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound