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4-nitrophenyl-3-ketovalidamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM4694

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₁₆N₂O₆

charge

mass

296.10084

reference

InChIKey

JYWZXKMMEIJNKK-IGCXTIMSSA-N

InChI

InChI=1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1

SMILES

O=C1[C@@H](O)[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15984 chebi:15984	4-nitrophenyl-3-ketovalidamine (2R,3R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohexanone 4-Nitrophenyl-3-ketovalidamine N-(4-Nitrophenyl)-3-ketovalidamine N-(4-nitrophenyl)-3-oxovalidamine p-Nitrophenyl-3-ketovalidamine
kegg.compound:C03995 keggC:C03995	4-Nitrophenyl-3-ketovalidamine N-(4-Nitrophenyl)-3-ketovalidamine p-Nitrophenyl-3-ketovalidamine
metacyc.compound:4-NITROPHENYL-3-KETOVALIDAMINE metacycM:4-NITROPHENYL-3-KETOVALIDAMINE	4-nitrophenyl-3-ketovalidamine N-(4-nitrophenyl)-3-ketovalidamine p-nitrophenyl-3-ketovalidamine
seed.compound:cpd02478 seedM:cpd02478	p-Nitrophenyl-3-ketovalidamine 4-Nitrophenyl-3-ketovalidamine 4-nitrophenyl-3-ketovalidamine N-(4-Nitrophenyl)-3-ketovalidamine N-(4-nitrophenyl)-3-ketovalidamine p-nitrophenyl-3-ketovalidamine
chebi:12036 chebi:1916 chebi:20459 keggC:M_C03995 seedM:M_cpd02478	secondary/obsolete/fantasy identifier