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CHEBI:194572 - Geobarrettin B

Default Structure
ChEBI IDCHEBI:194572
ChEBI NameGeobarrettin B
Stars
DefinitionBromoindole alkaloid
Submitterntejera
DownloadsMolfile
FormulaC17H17BrN6O2
Net Charge0
Average Mass417.267
Monoisotopic Mass416.05964
SMILESN=C(N)NCC/C=c1/nc(=O)/c(=C/c2cnc3cc(Br)ccc23)nc1=O
InChIInChI=1S/C17H17BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h2-4,6-8,22H,1,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b12-2+,14-6-
InChIKeyRMNJZDMKZZZDEF-DUVBNZFFSA-N
Species of MetaboliteComponentSourceComments
Geodia barretti- PubMed (30413031)
ChEBI Ontology
Outgoing Relation(s)
Geobarrettin B (CHEBI:194572) is a organic molecular entity (CHEBI:50860)
Citations