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CHEBI:199827 - Fumiquinazoline I

ChEBI IDCHEBI:199827
ChEBI NameFumiquinazoline I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N5O4
Net Charge0
Average Mass487.560
Monoisotopic Mass487.22195
SMILESCC(C)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/C27H29N5O4/c1-14(2)12-19-25(35)32-20-11-7-5-9-17(20)27(36,26(32)30-19)13-21-23(33)28-15(3)22-29-18-10-6-4-8-16(18)24(34)31(21)22/h4-11,14-15,19,21,26,30,36H,12-13H2,1-3H3,(H,28,33)/t15-,19-,21+,26+,27+/m0/s1
InChIKeyXQIGVMVJGPFNDE-YGHANTCSSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - DOI (10.1002/(sici)1521-3765(20000417)6:8<1355::aid-chem1355>3.3.co;2-j)
ChEBI Ontology
Outgoing Relation(s)
Fumiquinazoline I (CHEBI:199827) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(2S,3aR,4R)-4-hydroxy-2-(2-methylpropyl)-1-oxo-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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