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CHEBI:219632 - Brevianamide C

ChEBI IDCHEBI:219632
ChEBI NameBrevianamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O3
Net Charge0
Average Mass365.433
Monoisotopic Mass365.17394
SMILESCC(C)C1C[C@@]23CCCN2C(=O)[C@]1(/C=C1\Nc2ccccc2C1=O)NC3=O
InChIInChI=1S/C21H23N3O3/c1-12(2)14-10-20-8-5-9-24(20)19(27)21(14,23-18(20)26)11-16-17(25)13-6-3-4-7-15(13)22-16/h3-4,6-7,11-12,14,22H,5,8-10H2,1-2H3,(H,23,26)/b16-11-/t14?,20-,21-/m1/s1
InChIKeyZYQGZNMJYUPXGP-ASSLQMHZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/0040-4020(72)80014-0)
ChEBI Ontology
Outgoing Relation(s)
Brevianamide C (CHEBI:219632) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1R,7S)-7-[(Z)-(3-oxo-1H-indol-2-ylidene)methyl]-11-propan-2-yl-5,8-diazatricyclo[5.2.2.01,5]undecane-6,9-dione
Manual XrefsDatabases
10390698ChemSpider