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CHEBI:232953 - JS-K

ChEBI IDCHEBI:232953
ChEBI NameJS-K
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC13H16N6O8
Net Charge0
Average Mass384.305
Monoisotopic Mass384.10296
SMILESCCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-
InChIKeyDNJRNBYZLPKSHV-RGEXLXHISA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
JS-K (CHEBI:232953) has role antineoplastic agent (CHEBI:35610)
JS-K (CHEBI:232953) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(Z)-(2,4-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
Registry NumbersSources
CAS:205432-12-8SUBMITTER