EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206103 - Versiquinazoline B

ChEBI IDCHEBI:206103
ChEBI NameVersiquinazoline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H19N5O4
Net Charge0
Average Mass453.458
Monoisotopic Mass453.14370
SMILESO=C1[C@@H]2C[C@@]34O[C@@H](c5nc6ccccc6c(=O)n52)N1CN1[C@@H]3N(C(=O)C12CC2)c1ccccc14
InChIInChI=1S/C25H19N5O4/c31-19-13-5-1-3-7-15(13)26-18-21-27-12-28-22-25(34-21,11-17(20(27)32)29(18)19)14-6-2-4-8-16(14)30(22)23(33)24(28)9-10-24/h1-8,17,21-22H,9-12H2/t17-,21-,22+,25-/m0/s1
InChIKeyPVXTUOIMWMPANT-OVSKJSCNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27933898)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline B (CHEBI:206103) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,15S,26S,29R)-spiro[27-oxa-8,11,13,16,24-pentazaoctacyclo[13.12.1.11,8.02,7.013,26.016,25.018,23.011,29]nonacosa-2,4,6,18,20,22,24-heptaene-10,1'-cyclopropane]-9,14,17-trione
Manual XrefsDatabases
76790779ChemSpider