CHEBI:227059 - Barakacin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Barakacin
ChEBI ID CHEBI:227059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H19N3OS
Net Charge 0
Average Mass 421.520
Monoisotopic Mass 421.12488
InChI InChI=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
InChIKey GRPVXIRSGACTEG-UHFFFAOYSA-N
SMILES S1C(=NC(=C1)C(C=2C3=C(C=CC=C3)NC2)C=4C5=C(C=CC=C5)NC4)C6=C(O)C=CC=C6
Metabolite of Species Details
Pseudomonasspecies (NCBI:txid306) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78435866 ChemSpider
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