(-)-(alphaS,betaR)-guaiacylglycerol-beta-guaiacyl ether

Properties Image MNX_ID MNXM13439 reference metacycM:CPD-11867 formula C17H20O6 global charge 0 mol weight 320.341 InChIKey PPZSOILKWHVNNS-SJORKVTESA-N InChI InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16-,17+/m1/s1 SMILES COC1=C(O)C=CC([C@H](O)[C@@H](CO)OC2=C(OC)C=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16-,17+/m1/s1 SMILES (mnx) [CH3:1][O:21][C:13]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]1[O:23][C@H:16]([CH2:10][OH:18])[C@H:17]([C:11]1=[CH:9][C:15]([O:22][CH3:2])=[C:12]([OH:19])[CH:8]=[CH:7]1)[OH:20]

Parent-child relations graph

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