EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206391 - Cephalimysin L

ChEBI IDCHEBI:206391
ChEBI NameCephalimysin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO7
Net Charge0
Average Mass413.426
Monoisotopic Mass413.14745
SMILESCC[C@@H]1C=CC(=O)[C@@]12O[C@@]1(C(=O)N[C@@](OC)(C(=O)c3ccccc3)[C@@H]1O)C(=O)[C@@H]2C
InChIInChI=1S/C22H23NO7/c1-4-14-10-11-15(24)20(14)12(2)16(25)21(30-20)18(27)22(29-3,23-19(21)28)17(26)13-8-6-5-7-9-13/h5-12,14,18,27H,4H2,1-3H3,(H,23,28)/t12-,14+,18+,20-,21-,22+/m0/s1
InChIKeyUUQBLSTUKNFCFG-GMHQKQAGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1002/slct.201702256)
ChEBI Ontology
Outgoing Relation(s)
Cephalimysin L (CHEBI:206391) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,5R,7R,10S,11R,13R)-10-benzoyl-1-ethyl-11-hydroxy-10-methoxy-13-methyl-6-oxa-9-azadispiro[4.1.47.25]tridec-2-ene-4,8,12-trione
Manual XrefsDatabases
64808920ChemSpider