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CHEBI:213739 - Fumiquinazoline S

ChEBI IDCHEBI:213739
ChEBI NameFumiquinazoline S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N5O4
Net Charge0
Average Mass473.533
Monoisotopic Mass473.20630
SMILESCC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C26H27N5O4/c1-13(2)20-24(34)31-18-11-7-5-9-16(18)26(35,25(31)29-20)12-19-22(32)27-14(3)21-28-17-10-6-4-8-15(17)23(33)30(19)21/h4-11,13-14,19-20,25,29,35H,12H2,1-3H3,(H,27,32)/t14-,19+,20-,25+,26+/m0/s1
InChIKeyJNCNRIDYWQJICU-IACIIXEISA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25581396)
ChEBI Ontology
Outgoing Relation(s)
Fumiquinazoline S (CHEBI:213739) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(2S,3aR,4R)-4-hydroxy-1-oxo-2-propan-2-yl-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
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