2,3-di-isovaleroyl-4-isobutanoyl-glucose

Properties Image MNX_ID MNXM1132221 reference metacycM:CPD-22798 formula C20H34O9 global charge 0 mol weight 418.483 InChIKey ISYPDEFEILHARP-RTYWCGIJSA-N InChI InChI=1S/C20H34O9/c1-10(2)7-14(22)27-17-16(29-19(24)12(5)6)13(9-21)26-20(25)18(17)28-15(23)8-11(3)4/h10-13,16-18,20-21,25H,7-9H2,1-6H3/t13-,16-,17?,18-,20+/m1/s1 SMILES CC(C)CC(=O)OC1[C@@H](OC(=O)CC(C)C)[C@@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C MNX internals InChI (mnx) InChI=1/C20H34O9/c1-10(2)7-14(22)27-17-16(29-19(24)12(5)6)13(9-21)26-20(25)18(17)28-15(23)8-11(3)4/h10-13,16-18,20-21,25H,7-9H2,1-6H3/t13-,16-,17?,18-,20+/m1/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[CH2:7][C:14](=[O:22])[O:27][CH:17]1[C@H:16]([O:29][C:19]([CH:12]([CH3:5])[CH3:6])=[O:24])[C@@H:13]([CH2:9][OH:21])[O:26][C@H:20]([OH:25])[C@@H:18]1[O:28][C:15]([CH2:8][CH:11]([CH3:3])[CH3:4])=[O:23]

Parent-child relations graph

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