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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:37 UTC
Update Date2025-03-21 18:33:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094657
Frequency29.4
Structure
Chemical FormulaC13H9O2+
Molecular Mass197.0597
SMILESOc1ccc2c(c1)[o+]cc1ccccc12
InChI KeyLBLXPTIWSAEJJH-UHFFFAOYSA-O
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
  • 2-benzopyrans
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organooxygen compound