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CHEBI:231523 - 2-amino-4,6-dinitrotoluene β-D-glucoside

ChEBI IDCHEBI:231523
ChEBI Name2-amino-4,6-dinitrotoluene β-D-glucoside
Stars
ASCII Name2-amino-4,6-dinitrotoluene beta-D-glucoside
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC13H17N3O9
Net Charge0
Average Mass359.291
Monoisotopic Mass359.09648
SMILESCc1c(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O9/c1-5-7(2-6(15(21)22)3-8(5)16(23)24)14-13-12(20)11(19)10(18)9(4-17)25-13/h2-3,9-14,17-20H,4H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyCMGFICSLNOXZET-UJPOAAIJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-4,6-dinitrotoluene β-D-glucoside (CHEBI:231523) is a N-glycosyl compound (CHEBI:21731)
2-amino-4,6-dinitrotoluene β-D-glucoside (CHEBI:231523) is a nitrotoluene (CHEBI:25566)
Synonym  Source
2-ADNT glucosideSUBMITTER
UniProt Name  Source
2-amino-4,6-dinitrotoluene β-D-glucosideUniProt
Manual XrefsDatabases
CPD-10452MetaCyc
Citations