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CHEBI:230671 - misonidazole

Default Structure
ChEBI IDCHEBI:230671
ChEBI Namemisonidazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H11N3O4
Net Charge0
Average Mass201.182
Monoisotopic Mass201.07496
SMILESCOCC(O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKeyOBBCSXFCDPPXOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
misonidazole (CHEBI:230671) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Manual XrefsDatabases
24317ChemSpider
D05052KEGG DRUG
DB11716DrugBank
HMDB0254755HMDB