EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225152 - Fumiquinazoline O

ChEBI IDCHEBI:225152
ChEBI NameFumiquinazoline O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H29N5O6
Net Charge0
Average Mass543.580
Monoisotopic Mass543.21178
SMILESCO[C@]1(C)c2nc3ccccc3c(=O)n2[C@H](C[C@@]2(O)c3ccccc3N3C(=O)C4(CC4)N(C(C)=O)[C@@H]32)C(=O)N1C
InChIInChI=1S/C29H29N5O6/c1-16(35)34-25-29(39,18-10-6-8-12-20(18)33(25)26(38)28(34)13-14-28)15-21-23(37)31(3)27(2,40-4)24-30-19-11-7-5-9-17(19)22(36)32(21)24/h5-12,21,25,39H,13-15H2,1-4H3/t21-,25-,27-,29-/m1/s1
InChIKeyOHERQHRKBDORHU-OMBJRFEESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1002/ejoc.201201220)
ChEBI Ontology
Outgoing Relation(s)
Fumiquinazoline O (CHEBI:225152) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-4-[[(3aS,4R)-3-acetyl-4-hydroxy-1-oxospiro[3aH-imidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl]methyl]-1-methoxy-1,2-dimethyl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
Manual XrefsDatabases
29215538ChemSpider