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CHEBI:221158 - Brevicompanine F

ChEBI IDCHEBI:221158
ChEBI NameBrevicompanine F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35N3O3
Net Charge0
Average Mass437.584
Monoisotopic Mass437.26784
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(=O)CCC)c1ccccc12
InChIInChI=1S/C26H35N3O3/c1-7-11-21(30)28-19-13-10-9-12-17(19)26(25(5,6)8-2)15-20-22(31)27-18(14-16(3)4)23(32)29(20)24(26)28/h8-10,12-13,16,18,20,24H,2,7,11,14-15H2,1,3-6H3,(H,27,31)/t18-,20-,24-,26+/m0/s1
InChIKeyJIILGMDGBROFNV-IHJBEOSKSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19652417)
ChEBI Ontology
Outgoing Relation(s)
Brevicompanine F (CHEBI:221158) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9R)-16-butanoyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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78438218ChemSpider