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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:33 UTC
Update Date2025-03-25 00:59:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236831
Frequency0.5
Structure
Chemical FormulaC17H10O6
Molecular Mass310.0477
SMILESCOc1cccc2c1c(=O)oc1c3ccc(O)cc3oc(=O)c21
InChI KeyGAJNVPGYCQBBCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarino-alpha-pyrones
Direct Parent coumarino-alpha-pyrones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous esters
    • Substituents
  • phenol ether
  • ether
  • coumarino-alpha-pyrone
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • vinylogous ester
  • heteroaromatic compound
  • isocoumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound