EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219326 - Pseudellone A

ChEBI IDCHEBI:219326
ChEBI NamePseudellone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H13N3O3S
Net Charge0
Average Mass303.343
Monoisotopic Mass303.06776
SMILESCN1C(=O)[C@@H]2NC(=O)[C@@]1(C)S[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C14H13N3O3S/c1-13-11(19)16-9(10(18)17(13)2)14(21-13)7-5-3-4-6-8(7)15-12(14)20/h3-6,9H,1-2H3,(H,15,20)(H,16,19)/t9-,13+,14+/m0/s1
InChIKeyJWGKPMGYZPIUOY-CUOATXAZSA-N
Species of MetaboliteComponentSourceComments
Pseudallescheria (ncbitaxon:5596) - PubMed (26452138)
ChEBI Ontology
Outgoing Relation(s)
Pseudellone A (CHEBI:219326) has functional parent α-amino acid (CHEBI:33704)
Pseudellone A (CHEBI:219326) is a organonitrogen compound (CHEBI:35352)
Pseudellone A (CHEBI:219326) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1'R,3R,4'S)-1',7'-dimethylspiro[1H-indole-3,3'-2-thia-5,7-diazabicyclo[2.2.2]octane]-2,6',8'-trione
Manual XrefsDatabases
40256694ChemSpider