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CHEBI:194559 - Geobarrettin A

Default Structure
ChEBI IDCHEBI:194559
ChEBI NameGeobarrettin A
Stars
DefinitionBromoindole alkaloid
Last Modified8 November 2024
Submitterntejera
DownloadsMolfile
FormulaC17H19BrN6O4
Net Charge0
Average Mass451.281
Monoisotopic Mass450.06512
SMILESN=C(N)NCCC[C@@H]1NC(=O)/C(=C/[C@]2(O)C(=O)Nc3cc(Br)ccc32)NC1=O
InChIInChI=1S/C17H19BrN6O4/c18-8-3-4-9-11(6-8)24-15(27)17(9,28)7-12-14(26)22-10(13(25)23-12)2-1-5-21-16(19)20/h3-4,6-7,10,28H,1-2,5H2,(H,22,26)(H,23,25)(H,24,27)(H4,19,20,21)/b12-7-/t10-,17+/m0/s1
InChIKeyVGBSNHUHBSNOBR-RZGSRCBCSA-N
Species of MetaboliteComponentSourceComments
Geodia barretti (ncbitaxon:519541) - PubMed (30413031)
ChEBI Ontology
Outgoing Relation(s)
Geobarrettin A (CHEBI:194559) is a organic molecular entity (CHEBI:50860)
Citations