guaiacol O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside

Properties Image MNX_ID MNXM526132 reference metacycM:CPD-19216 formula C18H26O11 global charge 0 mol weight 418.395 InChIKey UHMXFZORPWLGAS-LRVDSYOPSA-N InChI InChI=1S/C18H26O11/c1-25-9-4-2-3-5-10(9)28-18-16(24)14(22)13(21)11(29-18)7-27-17-15(23)12(20)8(19)6-26-17/h2-5,8,11-24H,6-7H2,1H3/t8-,11-,12+,13-,14+,15-,16-,17+,18-/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=CC=C1 MNX internals InChI (mnx) InChI=1/C18H26O11/c1-25-9-4-2-3-5-10(9)28-18-16(24)14(22)13(21)11(29-18)7-27-17-15(23)12(20)8(19)6-26-17/h2-5,8,11-24H,6-7H2,1H3/t8-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1 SMILES (mnx) [CH3:1][O:25][C:9]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:10]1[O:28][C@H:18]1[C@H:16]([OH:24])[C@@H:14]([OH:22])[C@H:13]([OH:21])[C@@H:11]([CH2:7][O:27][C@H:17]2[C@H:15]([OH:23])[C@@H:12]([OH:20])[C@H:8]([OH:19])[CH2:6][O:26]2)[O:29]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0