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CHEBI:192315 - Bismurrayaquinone A

ChEBI IDCHEBI:192315
ChEBI NameBismurrayaquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H16N2O4
Net Charge0
Average Mass420.424
Monoisotopic Mass420.11101
SMILESCC1=C(C2=C(C)C(=O)c3c(nc4ccccc34)C2=O)C(=O)c2nc3ccccc3c2C1=O
InChIInChI=1S/C26H16N2O4/c1-11-17(25(31)21-19(23(11)29)13-7-3-5-9-15(13)27-21)18-12(2)24(30)20-14-8-4-6-10-16(14)28-22(20)26(18)32/h3-10,27-28H,1-2H3
InChIKeyFKJFKIPTKQPIFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
Bismurrayaquinone A (CHEBI:192315) is a carbazoles (CHEBI:48513)
IUPAC Name 
3-methyl-2-(3-methyl-1,4-dioxo-9H-carbazol-2-yl)-9H-carbazole-1,4-dione
Manual XrefsDatabases
HMDB0040774HMDB
8540264ChemSpider