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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:28 UTC
Update Date2025-03-25 00:58:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232067
Frequency0.5
Structure
Chemical FormulaC21H28O7
Molecular Mass392.1835
SMILESCC1=C(O)C(Cc2cccc(OC3OC(C(O)O)C(C)C(C)C3C)c2)OC1=O
InChI KeyJLASDQDLRUXAQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • butenolides
  • carbonyl compounds
  • carbonyl hydrates
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • dihydrofuran
  • enoate ester
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound