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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:58 UTC
Update Date2025-03-25 00:50:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180738
Frequency0.5
Structure
Chemical FormulaC17H13O4+
Molecular Mass281.0808
SMILESOc1ccc(-c2ccc(-c3ccc(O)cc3)c(O)[o+]2)cc1
InChI KeyRUPFIVLXLGPQSR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 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
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound