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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:16 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204147
Frequency0.5
Structure
Chemical FormulaC17H15NO5
Molecular Mass313.095
SMILESOc1ccc2[nH]cc(C3Oc4cc(O)c(O)cc4CC3O)c2c1
InChI KeyVCMFLRNRISZXOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • azacycle
  • 1-benzopyran
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • indole or derivatives
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound