basic_info |
|
| Product_Name： | AURORA 627 |
| EnglishSynonyms： | AURORA 627 |
| pro_mdlNumber： | MFCD00573256 |
| pro_acceptors： | 12 |
| pro_donors： | 6 |
| pro_smile： | NC1=NC2=C(N=C(SCC(O)=O)N2C2OC(CO)C(O)C2O)C(=O)N1 |
| InChi： | InChI=1S/C12H15N5O7S/c13-11-15-8-5(9(23)16-11)14-12(25-2-4(19)20)17(8)10-7(22)6(21)3(1-18)24-10/h3,6-7,10,18,21-22H,1-2H2,(H,19,20)(H3,13,15,16,23) |
| InChiKey： | InChIKey=NCELYEUIJBVZHF-UHFFFAOYSA-N |
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