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SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COC(=O)C)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br Canonical SMILES: CC(=O)OC[C@@H]1O[C@@H](SC(=N)N)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C.Br InChI: InChI=1S/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H/t10-,11-,12+,13-,14+;/m1./s1 InChIKey: QNVDHERXTIAGPT-SXQUUHMTSA-N
CBID:178214 http://www.chembase.cn/molecule-178214.html