basic_info |
|
| Product_Name： | AURORA KA-595 |
| EnglishSynonyms： | AURORA KA-595 |
| pro_mdlNumber： | MFCD02178276 |
| pro_acceptors： | 9 |
| pro_donors： | 4 |
| pro_smile： | OCC1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)C(O)[C@H](O)[C@H]1O |
| InChi： | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8?,9-,10+,11?,12+/m0/s1 |
| InChiKey： | InChIKey=IFBHRQDFSNCLOZ-AUCPDYOHSA-N |
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