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CHEBI:64551 - fumiquinazoline C

Default Structure
ChEBI IDCHEBI:64551
ChEBI Namefumiquinazoline C
Stars
DefinitionA fumiquinazoline obtained by oxidative spirocyclisation of fumiquinazoline A.
Last Modified10 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC24H21N5O4
Net Charge0
Average Mass443.463
Monoisotopic Mass443.15935
SMILES[H][C@]12N[C@@H](C)C(=O)N1c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@@](C)(O1)c1nc3ccccc3c(=O)n12
InChIInChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17+,22-,23-,24-/m0/s1
InChIKeyPOEYRUBMWIOMTB-LTQSKDJASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
fumiquinazoline C (CHEBI:64551) is a azaspiro compound (CHEBI:35624)
fumiquinazoline C (CHEBI:64551) is a fumiquinazoline (CHEBI:64545)
fumiquinazoline C (CHEBI:64551) is a imidazoindole (CHEBI:64547)
fumiquinazoline C (CHEBI:64551) is a organic heteroheptacyclic compound (CHEBI:52157)
fumiquinazoline C (CHEBI:64551) is a oxaspiro compound (CHEBI:37948)
IUPAC Name 
(1S,2'S,3S,5R,9a'S)-1,2'-dimethyl-1',9a'-dihydro-4H-spiro[1,5-(epiminomethano)[1,4]oxazepino[3,4-b]quinazoline-3,9'-imidazo[1,2-a]indole]-3',7,13(1H,2'H,5H)-trione
Registry NumbersSources
Reaxys:9096080Reaxys
Citations