EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206097 - Versiquinazoline A

ChEBI IDCHEBI:206097
ChEBI NameVersiquinazoline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H19N5O4
Net Charge0
Average Mass441.447
Monoisotopic Mass441.14370
SMILESC[C@H]1C(=O)N2c3ccccc3[C@@]34C[C@H]5C(=O)N(CN1[C@H]23)[C@@H](O4)c1nc2ccccc2c(=O)n15
InChIInChI=1S/C24H19N5O4/c1-12-19(30)29-16-9-5-3-7-14(16)24-10-17-21(32)27(11-26(12)23(24)29)22(33-24)18-25-15-8-4-2-6-13(15)20(31)28(17)18/h2-9,12,17,22-23H,10-11H2,1H3/t12-,17-,22-,23+,24-/m0/s1
InChIKeyQWWBXBCMNXTPTL-CBZVYWDSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27933898)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline A (CHEBI:206097) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,10S,15S,26S,29R)-10-methyl-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-9,14,17-trione
Manual XrefsDatabases
60596780ChemSpider