Secologanate

Properties Image MNX_ID MNXM5297 reference chebi:9075 formula C16H22O10 global charge 0 mol weight 374.342 InChIKey PUEUIRDVQIKCCG-ZASXJUAOSA-N InChI InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC=O MNX internals InChI (mnx) InChI=1/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 SMILES (mnx) [CH2:1]=[CH:2][C@@H:7]1[C@H:8]([CH2:3][CH:4]=[O:17])[C:9]([C:14](=[O:22])[OH:23])=[CH:6][O:24][C@H:15]1[O:26][C@H:16]1[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:11]([OH:19])[C@@H:10]([CH2:5][OH:18])[O:25]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0