sinalbin

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InChI :InChI=1/C16H23NO5.C14H19NO10S2/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h6-7,10-11H,8-9H2,1-5H3;1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t;9-,11-,12+,13-,14+/m.1/s1
Std.InChI: InChI=1S/C16H23NO5.C14H19NO10S2/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h6-7,10-11H,8-9H2,1-5H3;1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t;9-,11-,12+,13-,14+/m.1/s1
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InChIKey :NUXXPTJGCLKPIG-QKEJVQCIBG
Std.InChIKey: NUXXPTJGCLKPIG-VDHCZMMKSA-N
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SMILES :C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC.C1=CC(=CC=C1CC(=NOS(=O)(=O)[O-])S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
MDL: MFCD00017497