EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212686 - 16-keto aspergillimide

ChEBI IDCHEBI:212686
ChEBI Name16-keto aspergillimide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O4
Net Charge0
Average Mass373.453
Monoisotopic Mass373.20016
SMILESC[C@@H]1CC(=O)N2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C
InChIInChI=1S/C20H27N3O4/c1-11-6-13(24)23-10-19-9-18(8-14(25)21(4)15(18)26)17(2,3)12(19)7-20(11,23)16(27)22(19)5/h11-12H,6-10H2,1-5H3/t11-,12-,18-,19+,20+/m1/s1
InChIKeyYAYKUKWEFJDSJG-OTLHBNLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9402989)
ChEBI Ontology
Outgoing Relation(s)
16-keto aspergillimide (CHEBI:212686) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1R,6R,7S,9R,11R)-1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',4,5',14-tetrone