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CHEBI:229199 - Demethyleneberberine

ChEBI IDCHEBI:229199
ChEBI NameDemethyleneberberine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18NO4
Net Charge+1
Average Mass324.356
Monoisotopic Mass324.12303
SMILESCOc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3
InChIInChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1
InChIKeyHVTCKKMWZDDWOY-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Demethyleneberberine (CHEBI:229199) is a isoquinolines (CHEBI:24922)
IUPAC Name 
9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol
Manual XrefsDatabases
322394ChemSpider