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CHEBI:227966 - Neofiscalin A

ChEBI IDCHEBI:227966
ChEBI NameNeofiscalin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N5O4
Net Charge0
Average Mass473.533
Monoisotopic Mass473.20630
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)[C@@H](C)N[C@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C26H27N5O4/c1-13(2)20-21-28-17-10-6-4-8-15(17)24(34)30(21)19(22(32)29-20)12-26(35)16-9-5-7-11-18(16)31-23(33)14(3)27-25(26)31/h4-11,13-14,19-20,25,27,35H,12H2,1-3H3,(H,29,32)/t14-,19-,20+,25-,26+/m1/s1
InChIKeyKGYYECCJAXZXMH-YUPJTPIFSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1016/j.tet.2012.02.024)
ChEBI Ontology
Outgoing Relation(s)
Neofiscalin A (CHEBI:227966) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(2R,3aR,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
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35003380ChemSpider