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CHEBI:191516 - Nigellimine N-oxide

ChEBI IDCHEBI:191516
ChEBI NameNigellimine N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO3
Net Charge0
Average Mass219.240
Monoisotopic Mass219.08954
SMILESCOc1cc2cc[n+]([O-])c(C)c2cc1OC
InChIInChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3
InChIKeyGVQWAJKTFATJEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Nigellimine N-oxide (CHEBI:191516) is a isoquinolines (CHEBI:24922)
IUPAC Name 
6,7-dimethoxy-1-methyl-2-oxidoisoquinolin-2-ium
Manual XrefsDatabases
28713621ChemSpider
HMDB0033436HMDB