Basic Information |
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Product Name: | GLUCOTROPAEOLIN |
CAS: | 499-26-3 |
English Synonyms: | BENZYL GLUCOSINOLATE ; GLUCOTROPAEOLIN |
MDL Number.: | MFCD00214152 |
H bond acceptor: | 11 |
H bond donor: | 5 |
Smile: | c1ccc(cc1)/C(=N\OS(=O)(=O)O)/C(=O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
InChi: | InChI=1S/C14H17NO10S2/c16-6-8-10(17)11(18)12(19)14(24-8)26-13(20)9(15-25-27(21,22)23)7-4-2-1-3-5-7/h1-5,8,10-12,14,16-19H,6H2,(H,21,22,23)/b15-9+/t8-,10-,11+,12-,14+/m1/s1 |
InChiKey: | InChIKey=XKZAICJZHGXTSZ-BIWILENKSA-N |
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