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CHEBI:224991 - Brevicompanine G

ChEBI IDCHEBI:224991
ChEBI NameBrevicompanine G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N3O3
Net Charge0
Average Mass395.503
Monoisotopic Mass395.22089
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C23H29N3O3/c1-7-22(5,6)23-12-17-19(28)24-18(13(2)3)20(29)26(17)21(23)25(14(4)27)16-11-9-8-10-15(16)23/h7-11,13,17-18,21H,1,12H2,2-6H3,(H,24,28)/t17-,18-,21-,23+/m0/s1
InChIKeyXDYGPCTYGCERFA-ZVEOBBNSSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (19652417)
ChEBI Ontology
Outgoing Relation(s)
Brevicompanine G (CHEBI:224991) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,9R)-16-acetyl-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
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78438300ChemSpider