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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:38:55 UTC
Update Date2025-03-21 17:58:13 UTC
HMDB IDHMDB0030266
Metabolite Identification
DeepMet IDDMID00013006
NameBerberrubine
Frequency346.6
Structure
Chemical FormulaC19H16NO4+
Molecular Mass322.1074
SMILESCOc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
InChI KeyGLYPKDKODVRYGP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classprotoberberine alkaloids and derivatives
Subclass protoberberine alkaloids and derivatives
Direct Parent protoberberine alkaloids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-halopyridines
  • acetals
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • benzodioxoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • isoquinolines and derivatives
  • methylpyridines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • quinolizines
    • Substituents
  • tetrahydroprotoberberine skeleton
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic cation
  • organoheterocyclic compound
  • benzodioxole
  • quinolizine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 1-hydroxy-4-unsubstituted benzenoid
  • protoberberine skeleton
  • oxacycle
  • pyridine
  • organic oxygen compound
  • anisole
  • isoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound