IUPAC Name :calcium;(2S,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydro
InChI :InChI=1/C18H26O19.Ca/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2/t1-,2-,3+,4+,5-,6-,7-,8-,9-,10-,11+,12+,16+,17+,18+;/m0./s1
Std.InChI: InChI=1S/C18H26O19.Ca/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2/t1-,2-,3+,4+,5-,6-,7-,8-,9-,10-,11+,12+,16+,17+,18+;/m0./s1
InChIKey :OKHHGHGGPDJQHR-MNDDXWMSBU
Std.InChIKey: OKHHGHGGPDJQHR-YMOPUZKJSA-L
SMILES :[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2C(=O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@H]3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Ca+2]
MDL: MFCD00143567