guaiacol 2-O-beta-D-glucopyranosyl-(1 -> 2)-[O-beta-D-xylopyranosyl-(1 -> 6)]-O-beta-D-glucopyranoside

Properties Image MNX_ID MNXM526129 reference metacycM:CPD-19196 formula C24H36O16 global charge 0 mol weight 580.536 InChIKey JHUWCOQIKDJHGC-XTKNNOLBSA-N InChI InChI=1S/C24H36O16/c1-34-10-4-2-3-5-11(10)37-24-21(40-23-20(33)17(30)15(28)12(6-25)38-23)18(31)16(29)13(39-24)8-36-22-19(32)14(27)9(26)7-35-22/h2-5,9,12-33H,6-8H2,1H3/t9-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1 SMILES COC1=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C24H36O16/c1-34-10-4-2-3-5-11(10)37-24-21(40-23-20(33)17(30)15(28)12(6-25)38-23)18(31)16(29)13(39-24)8-36-22-19(32)14(27)9(26)7-35-22/h2-5,9,12-33H,6-8H2,1H3/t9-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][O:34][C:10]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:11]1[O:37][C@H:24]1[C@H:21]([O:40][C@H:23]2[C@H:20]([OH:33])[C@@H:17]([OH:30])[C@H:15]([OH:28])[C@@H:12]([CH2:6][OH:25])[O:38]2)[C@@H:18]([OH:31])[C@H:16]([OH:29])[C@@H:13]([CH2:8][O:36][C@H:22]2[C@H:19]([OH:32])[C@@H:14]([OH:27])[C@H:9]([OH:26])[CH2:7][O:35]2)[O:39]1

Parent-child relations graph

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