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CHEBI:208612 - Versiquinazoline N

ChEBI IDCHEBI:208612
ChEBI NameVersiquinazoline N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N5O4
Net Charge0
Average Mass485.544
Monoisotopic Mass485.20630
SMILESCCC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@]21C[C@@H]2C(=O)N[C@](C)(O1)c1nc3ccccc3c(=O)n12
InChIInChI=1S/C27H27N5O4/c1-4-14(2)20-23(35)31-18-12-8-6-10-16(18)27(25(31)29-20)13-19-21(33)30-26(3,36-27)24-28-17-11-7-5-9-15(17)22(34)32(19)24/h5-12,14,19-20,25,29H,4,13H2,1-3H3,(H,30,33)/t14?,19-,20+,25-,26-,27-/m1/s1
InChIKeyPJWNQQLNZSOQAT-QCWPMIFTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1039/c8ra06854b)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline N (CHEBI:208612) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,2'S,3'aR,12R,14R)-2'-butan-2-yl-12-methylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
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71048627ChemSpider