EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217340 - Fiscalin A

ChEBI IDCHEBI:217340
ChEBI NameFiscalin 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-/m0/s1
InChIKeyKGYYECCJAXZXMH-GNXNSZJDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (7684734)
ChEBI Ontology
Outgoing Relation(s)
Fiscalin A (CHEBI:217340) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,4R)-4-[[(2S,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
Manual XrefsDatabases
8520245ChemSpider