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CHEBI:227059 - Barakacin

ChEBI IDCHEBI:227059
ChEBI NameBarakacin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H19N3OS
Net Charge0
Average Mass421.525
Monoisotopic Mass421.12488
SMILESOc1ccccc1-c1nc(C(c2cnc3ccccc23)c2cnc3ccccc23)cs1
InChIInChI=1S/C26H19N3OS/c30-24-12-6-3-9-18(24)26-29-23(15-31-26)25(19-13-27-21-10-4-1-7-16(19)21)20-14-28-22-11-5-2-8-17(20)22/h1-15,25,27-28,30H
InChIKeyGRPVXIRSGACTEG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - DOI (10.5560/znb.2011-0277)
ChEBI Ontology
Outgoing Relation(s)
Barakacin (CHEBI:227059) is a indoles (CHEBI:24828)
IUPAC Name 
2-[4-[bis(1H-indol-3-yl)methyl]-1,3-thiazol-2-yl]phenol
Manual XrefsDatabases
78435866ChemSpider