basic_info |
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Product_Name: | DESULFOGLUCOBARBARIN |
CAS: | 77171-28-9 |
EnglishSynonyms: | DESULFOGLUCOBARBARIN |
pro_mdlNumber: | MFCD09752786 |
pro_acceptors: | 8 |
pro_donors: | 6 |
pro_smile: | c1ccc(cc1)[C@H](C/C(=N\O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
InChi: | InChI=1S/C15H21NO7S/c17-7-10-12(19)13(20)14(21)15(23-10)24-11(16-22)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-22H,6-7H2/b16-11+/t9-,10+,12+,13-,14+,15-/m0/s1 |
InChiKey: | InChIKey=MDUWLNWHFQXWIB-XSQSURSNSA-N |
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