EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208606 - Versiquinazoline M

ChEBI IDCHEBI:208606
ChEBI NameVersiquinazoline M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19N5O5
Net Charge0
Average Mass445.435
Monoisotopic Mass445.13862
SMILESO=C1N[C@@H]2c3nc4ccccc4c(=O)n3[C@H]1C[C@]1(O)c3ccccc3N3C(=O)[C@H](CO)N2[C@H]31
InChIInChI=1S/C23H19N5O5/c29-10-16-21(32)28-14-8-4-2-6-12(14)23(33)9-15-19(30)25-18(27(16)22(23)28)17-24-13-7-3-1-5-11(13)20(31)26(15)17/h1-8,15-16,18,22,29,33H,9-10H2,(H,25,30)/t15-,16-,18-,22+,23-/m0/s1
InChIKeyOSEDKWKVFUDTBD-FMQYXTRESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1039/c8ra06854b)
ChEBI Ontology
Outgoing Relation(s)
Versiquinazoline M (CHEBI:208606) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1S,3S,12S,14S,27R)-12-hydroxy-3-(hydroxymethyl)-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
Manual XrefsDatabases
71048626ChemSpider