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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:00 UTC
Update Date2025-03-21 18:32:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093208
Frequency30.0
Structure
Chemical FormulaC21H18O12
Molecular Mass462.0798
SMILESO=C1CC(c2ccc(OC3OC(C(=O)O)C(O)C(C(=O)O)O3)cc2)Oc2cc(O)cc(O)c21
InChI KeyMCBXAUBLHPADJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • beta hydroxy acids and derivatives
  • carboxylic acid orthoesters
  • carboxylic acids
  • chromones
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • ortho esters
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • ortho ester
  • flavanone
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid orthoester
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • beta-hydroxy acid
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • orthocarboxylic acid derivative
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • meta-dioxane
  • organooxygen compound
  • aryl ketone