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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:24 UTC
Update Date2025-03-25 01:01:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250301
Frequency0.5
Structure
Chemical FormulaC17H12O7
Molecular Mass328.0583
SMILESO=C(O)COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1
InChI KeyKRPZWNSCOWGISZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isoflavonoids
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxyacetic acid derivatives
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound