4-Nitrophenyl3-O-(2, 3, 4, 6-tetra-O-acetyl-a-D-mannopyranosyl)-2, 4-di-O-benzoyl-b-D-mannopyranoside

4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside 4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside is a bioactive metabolite that can be found in the gene expression profile of a human genome. It has been shown to have an effect on gene expression levels and cellular function. This metabolite is found in the environment and has been shown to be mediated by environmental factors. The high level of gene expression has been shown to be due to its ability to bind to DNA. CAS Number 1043892-54-1 Product Name 4-Nitrophenyl 3-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-2,4-di-O-benzoyl-b-D-mannopyranoside IUPAC Name [(2R,3R,4S,5S,6S)-5-benzoyloxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate Molecular Formula C40H41NO19 Molecular Weight 839.75 g/mol InChI InChI=1S/C40H41NO19/c1-21(43)51-20-30-32(52-22(2)44)33(53-23(3)45)35(54-24(4)46)40(57-30)60-34-31(58-37(47)25-11-7-5-8-12-25)29(19-42)56-39(55-28-17-15-27(16-18-28)41(49)50)36(34)59-38(48)26-13-9-6-10-14-26/h5-18,29-36,39-40,42H,19-20H2,1-4H3/t29-,30-,31-,32-,33+,34+,35+,36+,39-,40-/m1/s1 InChI Key OEJXXHZJFGMEDX-QJYYACBASA-N SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C Isomeric SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@H]2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])CO)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C