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SMILES: [Ba+2].[Ba+2].Nc1c(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ncn1[C@H]1C([C@H]([C@H](O1)COP(=O)([O-])[O-])O)O Canonical SMILES: [O-]C(=O)C[C@@H](C(=O)[O-])NC(=O)c1ncn(c1N)[C@@H]1O[C@@H]([C@@H](C1O)O)COP(=O)([O-])[O-].[Ba+2].[Ba+2] InChI: InChI=1S/C13H19N4O12P.2Ba/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27;;/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27);;/q;2*+2/p-4/t4-,5+,8-,9?,12+;;/m0../s1 InChIKey: PPKOPCLLXBFYGS-NPWMYEBASA-J
CBID:177842 http://www.chembase.cn/molecule-177842.html