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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:32 UTC
Update Date2025-03-25 00:50:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179716
Frequency0.5
Structure
Chemical FormulaC19H19NO5
Molecular Mass341.1263
SMILESCOc1ccc2[nH]cc(C3Oc4cc(O)cc(O)c4C(C)C3O)c2c1
InChI KeyCNWQGCZGDKTWMR-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrroles
  • secondary alcohols
    • Substituents
  • phenol ether
  • ether
  • 1-benzopyran
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound