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CHEBI:219645 - Brevianamide B

ChEBI IDCHEBI:219645
ChEBI NameBrevianamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O3
Net Charge0
Average Mass365.433
Monoisotopic Mass365.17394
SMILESCC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O
InChIInChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m1/s1
InChIKeyMWOFPQAPILIIPR-LYARXQMPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/0040-4020(72)80014-0)
ChEBI Ontology
Outgoing Relation(s)
Brevianamide B (CHEBI:219645) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
Manual XrefsDatabases
21447236ChemSpider