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CHEBI:205799 - Fiscalin E

ChEBI IDCHEBI:205799
ChEBI NameFiscalin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N5O5
Net Charge0
Average Mass517.586
Monoisotopic Mass517.23252
SMILESCO[C@@]1(C(C)C)NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C28H31N5O5/c1-15(2)28(38-5)24-29-18-12-8-6-10-16(18)22(35)32(24)20(21(34)30-28)14-27(37)17-11-7-9-13-19(17)33-23(27)31-26(3,4)25(33)36/h6-13,15,20,23,31,37H,14H2,1-5H3,(H,30,34)/t20-,23-,27+,28-/m1/s1
InChIKeyWBPMSXZGPZHZRG-PFUZJNDJSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26713369)
ChEBI Ontology
Outgoing Relation(s)
Fiscalin E (CHEBI:205799) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-4-[[(3aR,4S)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-methoxy-1-propan-2-yl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
58196457ChemSpider