N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin

Properties Image MNX_ID MNXM128328 reference chebi:191617 formula C12H21NO8S global charge 0 mol weight 339.366 InChIKey HXMZQSGMNGTGGB-UHFFFAOYSA-N InChI InChI=1S/C12H21NO8S/c1-2-3-22(20)5-7(11(17)18)13-6-12(19)10(16)9(15)8(14)4-21-12/h2,7-10,13-16,19H,1,3-6H2,(H,17,18) SMILES C=CCS(=O)CC(NCC1(O)OCC(O)C(O)C1O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21NO8S/c1-2-3-22(20)5-7(11(17)18)13-6-12(19)10(16)9(15)8(14)4-21-12/h2,7-10,13-16,19H,1,3-6H2,(H,17,18)/t7?,8?,9?,10?,12?,22? SMILES (mnx) [CH2:1]=[CH:2][CH2:3][S:22]([CH2:5][CH:7]([C:11](=[O:17])[OH:18])[NH:13][CH2:6][C:12]1([OH:19])[CH:10]([OH:16])[CH:9]([OH:15])[CH:8]([OH:14])[CH2:4][O:21]1)=[O:20]

Parent-child relations graph

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