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CHEBI:205751 - Brevicompanine C

ChEBI IDCHEBI:205751
ChEBI NameBrevicompanine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27N3O2
Net Charge0
Average Mass353.466
Monoisotopic Mass353.21033
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C21H27N3O2/c1-6-20(4,5)21-11-15-17(25)23-16(12(2)3)18(26)24(15)19(21)22-14-10-8-7-9-13(14)21/h6-10,12,15-16,19,22H,1,11H2,2-5H3,(H,23,25)/t15-,16+,19-,21+/m0/s1
InChIKeyGFKUCJKLCHSSJN-JRYVEOFUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15730251)
ChEBI Ontology
Outgoing Relation(s)
Brevicompanine C (CHEBI:205751) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
4483463ChemSpider