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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:47 UTC
Update Date2025-03-25 00:55:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214718
Frequency0.5
Structure
Chemical FormulaC17H16O6
Molecular Mass316.0947
SMILESCC1c2c(O)cc(O)cc2OC(c2cccc(C(=O)O)c2)C1O
InChI KeyCKIFNKNYCTXBPE-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
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • flavan-3-ols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • benzoic acid
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound