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CHEBI:205348 - Brocaeloid A

ChEBI IDCHEBI:205348
ChEBI NameBrocaeloid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O2
Net Charge0
Average Mass286.375
Monoisotopic Mass286.16813
SMILESC=CC(C)(C)[C@H]1Nc2ccccc2C(=O)[C@@H]1CNC(C)=O
InChIInChI=1S/C17H22N2O2/c1-5-17(3,4)16-13(10-18-11(2)20)15(21)12-8-6-7-9-14(12)19-16/h5-9,13,16,19H,1,10H2,2-4H3,(H,18,20)/t13-,16-/m0/s1
InChIKeyOWAFRMWUUTWJDD-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/ejoc.201400067)
ChEBI Ontology
Outgoing Relation(s)
Brocaeloid A (CHEBI:205348) is a quinolines (CHEBI:26513)
IUPAC Name 
N-[[(2S,3R)-2-(2-methylbut-3-en-2-yl)-4-oxo-2,3-dihydro-1H-quinolin-3-yl]methyl]acetamide
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