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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:04 UTC
Update Date2025-03-21 18:41:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134204
Frequency18.8
Structure
Chemical FormulaC16H18O11
Molecular Mass386.0849
SMILESO=C1OC(c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)C(O)=C1O
InChI KeyBWRHDEHWROFIGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • butenolides
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • dihydrofuran
  • enoate ester
  • alcohol
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound