CHEBI:62680 - 4-nitrophenyl β-sophoroside

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ChEBI Name 4-nitrophenyl β-sophoroside ChEBI ID CHEBI:62680 ChEBI ASCII Name 4-nitrophenyl beta-sophoroside Definition The sophoroside derivative of 4-nitrophenol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H25NO13 Net Charge 0 Average Mass 463.39000 Monoisotopic Mass 463.13259 InChI InChI=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 InChIKey ZGWCYKZKLZNQQX-GSPJEIBNSA-N SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O ChEBI Ontology Outgoing 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 Sources 4-nitrophenyl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside IUPAC 4-nitrophenyl β-D-glucosyl-(1→2)-β-D-glucoside ChEBI Glc-(1→2)-Glc-φ-NO2 ChEBI p-nitrophenyl β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside ChEBI p-nitrophenyl β-D-glucosyl-(1→2)-β-D-glucoside ChEBI p-nitrophenyl β-sophoroside ChEBI p-nitrophenyl sophoroside ChEBI Registry Number Type Source 4894752 Reaxys Registry Number Reaxys Citation Type Source 3146022 PubMed citation Europe PMC Last Modified 22 November 2019