EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202677 - MSD-819

ChEBI IDCHEBI:202677
ChEBI NameMSD-819
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H5ClN2O4
Net Charge0
Average Mass240.602
Monoisotopic Mass239.99378
SMILESO=C(O)c1c[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]
InChIInChI=1S/C9H5ClN2O4/c10-5-1-2-6-7(3-5)11(15)4-8(9(13)14)12(6)16/h1-4H,(H,13,14)
InChIKeyOREKRDMCWBYLFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces ambofaciens (ncbitaxon:1889) - PubMed (5735369)
ChEBI Ontology
Outgoing Relation(s)
MSD-819 (CHEBI:202677) is a quinoxaline derivative (CHEBI:38771)
IUPAC Name 
6-chloro-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylic acid
Manual XrefsDatabases
57460122ChemSpider