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CHEBI:202235 - Spiroquinazoline

ChEBI IDCHEBI:202235
ChEBI NameSpiroquinazoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19N5O3
Net Charge0
Average Mass413.437
Monoisotopic Mass413.14879
SMILESC[C@@]12NC(=O)[C@@H](C[C@@]13c1ccccc1N1C(=O)CN[C@@H]13)n1c2nc2ccccc2c1=O
InChIInChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1
InChIKeySIIMITFGYHVBGG-FGSBKAERSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (7517439)
ChEBI Ontology
Outgoing Relation(s)
Spiroquinazoline (CHEBI:202235) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1R,3'aS,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
Manual XrefsDatabases
8584921ChemSpider