4-O-methyl-DIBOA-glucoside

Properties Image MNX_ID MNXM14790 reference metacycM:CPD-6627 formula C15H19NO9 global charge 0 mol weight 357.315 InChIKey SXGAXOMQODZFEX-QUNQUYFKSA-N InChI InChI=1S/C15H19NO9/c1-22-16-7-4-2-3-5-8(7)23-15(13(16)21)25-14-12(20)11(19)10(18)9(6-17)24-14/h2-5,9-12,14-15,17-20H,6H2,1H3/t9-,10-,11+,12-,14?,15?/m1/s1 SMILES CON1C(=O)C(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C15H19NO9/c1-22-16-7-4-2-3-5-8(7)23-15(13(16)21)25-14-12(20)11(19)10(18)9(6-17)24-14/h2-5,9-12,14-15,17-20H,6H2,1H3/t9-,10-,11+,12-,14?,15?/m1/s1 SMILES (mnx) [CH3:1][O:22][N:16]1[C:7]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:8]2[O:23][CH:15]([O:25][CH:14]2[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:10]([OH:18])[C@@H:9]([CH2:6][OH:17])[O:24]2)[C:13]1=[O:21]

Parent-child relations graph

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