**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

6',6''-diacetyl-beta-sophorose

Properties Image MNX_ID MNXM1586652 reference chebi:235374 formula C16H26O13 global charge 0 mol weight 426.371 InChIKey GNOKYVLIJINECA-AYRRGACDSA-N InChI InChI=1S/C16H26O13/c1-5(17)25-3-7-10(20)12(22)14(15(24)27-7)29-16-13(23)11(21)9(19)8(28-16)4-26-6(2)18/h7-16,19-24H,3-4H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+/m1/s1 SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C16H26O13/c1-5(17)25-3-7-10(20)12(22)14(15(24)27-7)29-16-13(23)11(21)9(19)8(28-16)4-26-6(2)18/h7-16,19-24H,3-4H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+/m1/s1 SMILES (mnx) [CH3:1][C:5](=[O:17])[O:25][CH2:3][C@@H:7]1[C@@H:10]([OH:20])[C@H:12]([OH:22])[C@@H:14]([O:29][C@H:16]2[C@H:13]([OH:23])[C@@H:11]([OH:21])[C@H:9]([OH:19])[C@@H:8]([CH2:4][O:26][C:6]([CH3:2])=[O:18])[O:28]2)[C@H:15]([OH:24])[O:27]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:235374 chebi:235374 GNOKYVLIJINECA-AYRRGACDSA-N	6',6''-diacetyl-beta-sophorose 6'-O-acetyl-beta-D-glucosyl-(1->2)-6''-O-acetyl-beta-D-glucoside