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SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2C[C@@H]([C@H]2[C@@]1(CC[C@H](C2)O)C)O)C.O.[Na+] Canonical SMILES: O[C@@H]1CC[C@]2([C@@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)[O-])C)C)C.O.[Na+] InChI: InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-;;/m1../s1 InChIKey: MJKUJELEPWZEGU-IGEKTTBWSA-M
CBID:155216 http://www.chembase.cn/molecule-155216.html