alpha-O-salicyloylsalicin

Properties Image MNX_ID MNXM128862 reference chebi:137977 formula C20H22O9 global charge 0 mol weight 406.387 InChIKey YHBIHSCTXBGAIK-NUABRCLCSA-N InChI InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20+/m1/s1 SMILES O=C(OCC1=CC=CC=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20+/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][CH:8]=[C:14]([O:28][C@@H:20]2[C@H:18]([OH:25])[C@@H:17]([OH:24])[C@H:16]([OH:23])[C@@H:15]([CH2:9][OH:21])[O:29]2)[C:11]([CH2:10][O:27][C:19]([C:12]2=[CH:6][CH:2]=[CH:3][CH:7]=[C:13]2[OH:22])=[O:26])=[CH:5]1

Parent-child relations graph

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