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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:26 UTC
Update Date2025-03-21 18:36:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108984
Frequency24.6
Structure
Chemical FormulaC9H7O3+
Molecular Mass163.039
SMILESOc1ccc2[o+]cc(O)cc2c1
InChI KeyPMSUUKHVUDNPTC-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
  • 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
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organooxygen compound