basic_info |
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| Product_Name: | GLUCOTROPAEOLIN POTASSIUM SALT |
| CAS: | 5115-71-9 |
| EnglishSynonyms: | BENZYL GLUCOSINOLATE ; GLUCOTROPAEOLIN POTASSIUM SALT ; GLUCOTROPAEOLIN |
| pro_mdlNumber: | MFCD00153006 |
| pro_acceptors: | 10 |
| pro_donors: | 4 |
| pro_smile: | c1ccc(cc1)C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O.[K+] |
| InChi: | InChI=1S/C14H19NO9S2.K/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8;/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22);/q;+1/p-1/b15-10+;/t9-,11-,12+,13-,14+;/m1./s1 |
| InChiKey: | InChIKey=UYCWNAZWHVREMO-XLUSCXMISA-M |
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