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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:56 UTC
Update Date2025-03-25 00:59:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235501
Frequency0.5
Structure
Chemical FormulaC21H24O11
Molecular Mass452.1319
SMILESOCC1OC(O)C(O)C(O)C1Oc1cc(O)cc(C2Oc3cc(O)cc(O)c3CC2O)c1
InChI KeyNVJBPHUEZCAXJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • flavan-3-ols
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • aromatic heteropolycyclic compound
  • chromane
  • hemiacetal
  • oxane
  • flavan-3-ol
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound