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SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1C(=O)O)n1c(=S)[nH]c(=O)cc1CCC)O)O)O Canonical SMILES: CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@@H]1O)O)O InChI: InChI=1S/C13H18N2O7S/c1-2-3-5-4-6(16)14-13(23)15(5)11-9(19)7(17)8(18)10(22-11)12(20)21/h4,7-11,17-19H,2-3H2,1H3,(H,20,21)(H,14,16,23)/t7-,8-,9+,10-,11+/m0/s1 InChIKey: FRRSJAKAIDIIKX-QUARPLMYSA-N
CBID:177063 http://www.chembase.cn/molecule-177063.html