2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)-2-methylbutanenitrile

Properties Image MNX_ID MNXM116516 reference metacycM:CPD-15065 formula C16H27NO10 global charge 0 mol weight 393.389 InChIKey MTXHSRQBZHUBTP-JGPBSLDXSA-N InChI InChI=1S/C16H27NO10/c1-3-15(2,5-17)27-13-11(21)10(20)9(19)8(26-13)4-24-14-12(22)16(23,6-18)7-25-14/h8-14,18-23H,3-4,6-7H2,1-2H3/t8-,9-,10+,11-,12+,13?,14-,15?,16-/m1/s1 SMILES CCC(C)(C#N)OC1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C16H27NO10/c1-3-15(2,5-17)27-13-11(21)10(20)9(19)8(26-13)4-24-14-12(22)16(23,6-18)7-25-14/h8-14,18-23H,3-4,6-7H2,1-2H3/t8-,9-,10+,11-,12+,13?,14-,15?,16-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][C:15]([CH3:2])([C:5]#[N:17])[O:27][CH:13]1[C@H:11]([OH:21])[C@@H:10]([OH:20])[C@H:9]([OH:19])[C@@H:8]([CH2:4][O:24][C@H:14]2[C@H:12]([OH:22])[C@:16]([CH2:6][OH:18])([OH:23])[CH2:7][O:25]2)[O:26]1

Parent-child relations graph

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