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CHEBI:204434 - Brevianamide O

ChEBI IDCHEBI:204434
ChEBI NameBrevianamide O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O4
Net Charge0
Average Mass393.443
Monoisotopic Mass393.16886
SMILESCCC(C)[C@@]1(O)NC(=O)[C@H](Cc2ccccc2)n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C22H23N3O4/c1-3-14(2)22(28)21-23-19-16(11-7-8-12-29-19)20(27)25(21)17(18(26)24-22)13-15-9-5-4-6-10-15/h4-12,14,17,28H,3,13H2,1-2H3,(H,24,26)/t14?,17-,22-/m0/s1
InChIKeyQSTWWSSMFYPLHS-GXNUKWMWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1002/hlca.201000053)
ChEBI Ontology
Outgoing Relation(s)
Brevianamide O (CHEBI:204434) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(4S,7S)-7-benzyl-4-butan-2-yl-4-hydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
28288139ChemSpider