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CHEBI:226088 - Pyonitrin B

ChEBI IDCHEBI:226088
ChEBI NamePyonitrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12ClN3OS
Net Charge0
Average Mass377.856
Monoisotopic Mass377.03896
SMILESOc1ccccc1-c1nc(-c2nc3ccccc3c3c(Cl)cnc23)cs1
InChIInChI=1S/C20H12ClN3OS/c21-13-9-22-19-17(13)11-5-1-3-7-14(11)23-18(19)15-10-26-20(24-15)12-6-2-4-8-16(12)25/h1-10,22,25H
InChIKeyXBMMXHKKPWDRNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas protegens (ncbitaxon:380021) - PubMed (31600443)
ChEBI Ontology
Outgoing Relation(s)
Pyonitrin B (CHEBI:226088) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
2-[4-(1-chloro-3H-pyrrolo[2,3-c]quinolin-4-yl)-1,3-thiazol-2-yl]phenol