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CHEBI:62680 - 4-nitrophenyl β-sophoroside

ChEBI IDCHEBI:62680
ChEBI Name4-nitrophenyl β-sophoroside
Stars
ASCII Name4-nitrophenyl beta-sophoroside
DefinitionThe sophoroside derivative of 4-nitrophenol.
Last Modified22 November 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H25NO13
Net Charge0
Average Mass463.392
Monoisotopic Mass463.13259
SMILESO=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C18H25NO13/c20-5-9-11(22)13(24)15(26)17(30-9)32-16-14(25)12(23)10(6-21)31-18(16)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKeyZGWCYKZKLZNQQX-GSPJEIBNSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl β-sophoroside (CHEBI:62680) is a C-nitro compound (CHEBI:35716)
4-nitrophenyl β-sophoroside (CHEBI:62680) is a glycoside (CHEBI:24400)
4-nitrophenyl β-sophoroside (CHEBI:62680) is a sophoroside (CHEBI:145470)
IUPAC Name 
4-nitrophenyl β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
Synonyms  Source
Glc-(1→2)-Glc-φ-NO2ChEBI
p-nitrophenyl β-sophorosideChEBI
4-nitrophenyl β-D-glucosyl-(1→2)-β-D-glucosideChEBI
p-nitrophenyl β-D-glucopyranosyl-(1→2)-β-D-glucopyranosideChEBI
p-nitrophenyl sophorosideChEBI
p-nitrophenyl β-D-glucosyl-(1→2)-β-D-glucosideChEBI
Registry NumbersSources
Reaxys:4894752Reaxys
Citations