4-hydroxybutylglucosinolate

Properties Image MNX_ID MNXM8144 reference metacycM:CPDQT-274 formula C11H20NO10S2 global charge -1 mol weight 390.412 InChIKey QHIATSAYASRLEY-IIPHORNXSA-M InChI InChI=1S/C11H21NO10S2/c13-4-2-1-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(5-14)21-11/h6,8-11,13-17H,1-5H2,(H,18,19,20)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1 SMILES O=S(=O)([O-])O/N=C(/CCCCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C11H21NO10S2/c13-4-2-1-3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(5-14)21-11/h6,8-11,13-17H,1-5H2,(H,18,19,20)/b12-7-/t6-,8-,9+,10-,11+/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:4][OH:13])[CH2:3]/[C:7](=[N:12]/[O:22][S:24]([OH:18])(=[O:19])=[O:20])[S:23][C@H:11]1[C@H:10]([OH:17])[C@@H:9]([OH:16])[C@H:8]([OH:15])[C@@H:6]([CH2:5][OH:14])[O:21]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0