2-hydroxylamino-4,6-dinitrotoluene-O-beta-D-glucoside (CHEBI:231521)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-hydroxylamino-4,6-dinitrotoluene-O-β-D-glucoside

ChEBI ID	CHEBI:231521

ChEBI ASCII Name	2-hydroxylamino-4,6-dinitrotoluene-O-beta-D-glucoside

Stars	This entity has been manually annotated by a third party.

Submitter	Elisabeth COUDERT

Supplier Information

Download	Molfile XML SDF

Formula

C13H17N3O10

Net Charge

Average Mass

375.290

Monoisotopic Mass

375.09139

InChI

InChI=1S/C13H17N3O10/c1-5-7(2-6(15(21)22)3-8(5)16(23)24)14-26-13-12(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

InChIKey

FDHKZWGRIMCNIS-LBELIVKGSA-N

SMILES

C1(=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1C)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

ChEBI Ontology
Outgoing	2-hydroxylamino-4,6-dinitrotoluene-O-β-D-glucoside (CHEBI:231521) is a glycoside (CHEBI:24400) 2-hydroxylamino-4,6-dinitrotoluene-O-β-D-glucoside (CHEBI:231521) is a nitrotoluene (CHEBI:25566)

Synonyms	Sources
2-HADNT O-glucoside	SUBMITTER
2-hydroxylamino-4,6-dinitrotoluene-O-β-D-glucoside	UniProt

Citation	Type	Source
18702669	PubMed citation	SUBMITTER