4-nitrophenyl-beta-D-xylobioside

Properties Image MNX_ID MNXM66247 reference metacycM:CPD-13214 formula C16H21NO11 global charge 0 mol weight 403.34 InChIKey LPCFVCUKBNKNBF-DDJMUGOQSA-N InChI InChI=1S/C16H21NO11/c18-9-5-25-16(13(21)11(9)19)28-10-6-26-15(14(22)12(10)20)27-8-3-1-7(2-4-8)17(23)24/h1-4,9-16,18-22H,5-6H2/t9-,10-,11+,12+,13-,14-,15+,16+/m1/s1 SMILES O=[N+]([O-])C1=CC=C(O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C16H21NO11/c18-9-5-25-16(13(21)11(9)19)28-10-6-26-15(14(22)12(10)20)27-8-3-1-7(2-4-8)17(23)24/h1-4,9-16,18-22H,5-6H2/t9-,10-,11+,12+,13-,14-,15+,16+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:8]([O:27][C@H:15]2[C@H:14]([OH:22])[C@@H:12]([OH:20])[C@H:10]([O:28][C@H:16]3[C@H:13]([OH:21])[C@@H:11]([OH:19])[C@H:9]([OH:18])[CH2:5][O:25]3)[CH2:6][O:26]2)=[CH:4][CH:2]=[C:7]1[N+:17]([O-:23])=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0