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CHEBI:135734 - mannite hexanitrate

ChEBI IDCHEBI:135734
ChEBI Namemannite hexanitrate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC6H8N6O18
Net Charge0
Average Mass452.154
Monoisotopic Mass451.98951
SMILESO=[N+]([O-])OC[C@@H](O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]
WURCSWURCS=2.0/1,1,0/[h1122h_1*ONO/3=O_2*ONO/3=O_3*ONO/3=O_4*ONO/3=O_5*ONO/3=O_6*ONO/3=O]/1/
InChIInChI=1S/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyDGMJZELBSFOPHH-KVTDHHQDSA-N
ChEBI Ontology
Outgoing Relation(s)
mannite hexanitrate (CHEBI:135734) is a monosaccharide (CHEBI:35381)
Synonyms  Source
mannitol nitrateDrugCentral
nitranitolDrugCentral
hexanitrolDrugCentral
d-mannitol hexanitrateDrugCentral
manexinDrugCentral
mannitateDrugCentral
Manual XrefsDatabases
3330DrugCentral
Registry NumbersSources
CAS:15825-70-4DrugCentral