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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:29 UTC
Update Date2025-03-25 00:59:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236695
Frequency0.5
Structure
Chemical FormulaC11H9O4+
Molecular Mass205.0495
SMILESOc1ccc(-c2ccc(O)cc2O)[o+]c1
InChI KeyCQFPTGUPSYHFKO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound