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CHEBI:219639 - Brevianamide E

ChEBI IDCHEBI:219639
ChEBI NameBrevianamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O3
Net Charge0
Average Mass367.449
Monoisotopic Mass367.18959
SMILESC=CC(C)(C)[C@@]12Nc3ccccc3[C@]1(O)C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12
InChIInChI=1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3/t15-,16-,20+,21-/m0/s1
InChIKeyYAQYEBABECUWBT-AFMUBRCDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/0040-4020(72)80014-0)
ChEBI Ontology
Outgoing Relation(s)
Brevianamide E (CHEBI:219639) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4S,10S,12R)-12-hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
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161297ChemSpider