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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:44 UTC
Update Date2025-03-25 00:53:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202897
Frequency0.5
Structure
Chemical FormulaC20H20O6
Molecular Mass356.126
SMILESO=C1CCC(Cc2ccc(OC3Oc4cc(O)ccc4CC3O)cc2)O1
InChI KeyXDFKEAIPFKLUKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound