6-(methylsulfanyl)hexyl-desulfoglucosinolate

Properties Image MNX_ID MNXM10374 reference metacycM:CPDQT-417 formula C14H27NO6S2 global charge 0 mol weight 369.505 InChIKey RTWFLPZWHKDFBK-RFEZBLSLSA-N InChI InChI=1S/C14H27NO6S2/c1-22-7-5-3-2-4-6-10(15-20)23-14-13(19)12(18)11(17)9(8-16)21-14/h9,11-14,16-20H,2-8H2,1H3/b15-10-/t9-,11-,12+,13-,14+/m1/s1 SMILES CSCCCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C14H27NO6S2/c1-22-7-5-3-2-4-6-10(15-20)23-14-13(19)12(18)11(17)9(8-16)21-14/h9,11-14,16-20H,2-8H2,1H3/b15-10-/t9-,11-,12+,13-,14+/m1/s1 SMILES (mnx) [CH3:1][S:22][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6]/[C:10](=[N:15]/[OH:20])[S:23][C@H:14]1[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:9]([CH2:8][OH:16])[O:21]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0