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

Properties Image MNX_ID MNXM511904 reference metacycM:CPD-19194 formula C27H40O16 global charge 0 mol weight 620.601 InChIKey XYGWCKIPKQTOCL-UYLZDWGHSA-N InChI InChI=1S/C27H40O16/c1-3-4-11-5-6-13(14(7-11)37-2)40-27-24(43-26-23(36)20(33)18(31)15(8-28)41-26)21(34)19(32)16(42-27)10-39-25-22(35)17(30)12(29)9-38-25/h3,5-7,12,15-36H,1,4,8-10H2,2H3/t12-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-/m1/s1 SMILES C=CCC1=CC=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(OC)=C1 MNX internals InChI (mnx) InChI=1/C27H40O16/c1-3-4-11-5-6-13(14(7-11)37-2)40-27-24(43-26-23(36)20(33)18(31)15(8-28)41-26)21(34)19(32)16(42-27)10-39-25-22(35)17(30)12(29)9-38-25/h3,5-7,12,15-36H,1,4,8-10H2,2H3/t12-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-/m1/s1 SMILES (mnx) [CH2:1]=[CH:3][CH2:4][C:11]1=[CH:7][C:14]([O:37][CH3:2])=[C:13]([O:40][C@H:27]2[C@H:24]([O:43][C@H:26]3[C@H:23]([OH:36])[C@@H:20]([OH:33])[C@H:18]([OH:31])[C@@H:15]([CH2:8][OH:28])[O:41]3)[C@@H:21]([OH:34])[C@H:19]([OH:32])[C@@H:16]([CH2:10][O:39][C@H:25]3[C@H:22]([OH:35])[C@@H:17]([OH:30])[C@H:12]([OH:29])[CH2:9][O:38]3)[O:42]2)[CH:6]=[CH:5]1

Parent-child relations graph

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