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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:31 UTC
Update Date2025-03-21 18:40:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130672
Frequency19.4
Structure
Chemical FormulaC16H12O6
Molecular Mass300.0634
SMILESO=C(O)c1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1
InChI KeyLIJCETNQTNSDIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent flavanones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • chromones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • benzoic acid
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone