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CHEBI:231525 - 2-hydroxylamino-4,6-dinitrotoluene-3C-β-D-glucoside

ChEBI IDCHEBI:231525
ChEBI Name2-hydroxylamino-4,6-dinitrotoluene-3C-β-D-glucoside
Stars
ASCII Name2-hydroxylamino-4,6-dinitrotoluene-3C-beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC13H17N3O10
Net Charge0
Average Mass375.290
Monoisotopic Mass375.09139
SMILESCc1c([N+](=O)[O-])cc([N+](=O)[O-])c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1NO
InChIInChI=1S/C13H17N3O10/c1-4-5(15(22)23)2-6(16(24)25)8(9(4)14-21)13-12(20)11(19)10(18)7(3-17)26-13/h2,7,10-14,17-21H,3H2,1H3/t7-,10-,11+,12-,13+/m1/s1
InChIKeyLQVHMKSGVVHSHF-HCLZXYDTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxylamino-4,6-dinitrotoluene-3C-β-D-glucoside (CHEBI:231525) is a C-glycosyl compound (CHEBI:20857)
2-hydroxylamino-4,6-dinitrotoluene-3C-β-D-glucoside (CHEBI:231525) is a nitrotoluene (CHEBI:25566)
Synonym  Source
2-HADNT C-glucosideSUBMITTER
UniProt Name  Source
2-hydroxylamino-4,6-dinitrotoluene-3C-β-D-glucosideUniProt
Manual XrefsDatabases
CPD-10449MetaCyc
Citations