3-hydroxykynurenine-O-beta-D-glucoside

Properties Image MNX_ID MNXM163184 reference biggM:CE2095 formula C16H22N2O9 global charge 0 mol weight 386.357 InChIKey SYBDIVKHFDAAJV-RBDCUATOSA-N InChI InChI=1S/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10+,12-,13-,14-,16+/m1/s1 SMILES NC1=C(C(=O)C[C@@H]([NH3+])C(=O)[O-])C=CC=C1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10+,12-,13-,14-,16+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:6]([C:8]([CH2:4][C@H:7]([C:15](=[O:24])[OH:25])[NH2:17])=[O:20])=[C:11]([NH2:18])[C:9]([O:26][C@@H:16]2[C@H:14]([OH:23])[C@H:13]([OH:22])[C@H:12]([OH:21])[C@H:10]([CH2:5][OH:19])[O:27]2)=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 4