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CHEBI:208618 - Versiquinazoline O

ChEBI IDCHEBI:208618
ChEBI NameVersiquinazoline O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N5O4
Net Charge0
Average Mass487.560
Monoisotopic Mass487.22195
SMILESCCC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@]2(O)C[C@@H]1C(=O)N[C@H](C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C27H29N5O4/c1-4-14(2)21-25(35)32-19-12-8-6-10-17(19)27(36,26(32)30-21)13-20-23(33)28-15(3)22-29-18-11-7-5-9-16(18)24(34)31(20)22/h5-12,14-15,20-21,26,30,36H,4,13H2,1-3H3,(H,28,33)/t14?,15-,20-,21+,26-,27-/m1/s1
InChIKeySKFGYWJEITZBTI-YHRZVBOISA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1039/c8ra06854b)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline O (CHEBI:208618) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,4R)-4-[[(2S,3aR,4R)-2-butan-2-yl-4-hydroxy-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
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71048628ChemSpider