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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:03 UTC
Update Date2025-03-25 00:54:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203641
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESO=C(O)CCc1cc(O)c2c(c1)CC(O)C(c1ccc(O)cc1)O2
InChI KeyAXZYNJJNFIWCRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 8-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • flavan-3-ols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • 8-hydroxyflavonoid
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound