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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:16 UTC
Update Date2025-03-25 00:54:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208767
Frequency0.5
Structure
Chemical FormulaC20H28O12
Molecular Mass460.1581
SMILESCC(=O)c1ccc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1O
InChI KeyKSBJIQCQWCUVGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • acetophenones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • acetophenone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone