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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:51:48 UTC
Update Date2025-03-21 18:03:12 UTC
HMDB IDHMDB0035291
Metabolite Identification
DeepMet IDDMID00042856
NameIsoplumbagin
Frequency79.5
Structure
Chemical FormulaC11H8O3
Molecular Mass188.0473
SMILESCC1=CC(=O)c2cccc(O)c2C1=O
InChI KeyZMOIGGHUSNHCAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthoquinones
Direct Parent naphthoquinones
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • quinones
  • vinylogous acids
    • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • naphthoquinone
  • organooxygen compound
  • aryl ketone
  • quinone