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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:56 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162296
Frequency0.5
Structure
Chemical FormulaC17H16O6
Molecular Mass316.0947
SMILESO=C(O)CC1(O)CC(c2ccc(O)cc2)Oc2cc(O)ccc21
InChI KeyKESZMNFHXHSDDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 4-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • flavans
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • 4-hydroxyflavonoid
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • oxacycle
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound