basic_info |
|
| Product_Name： | API-1 |
| CAS： | 36707-00-3 |
| EnglishSynonyms： | API-1 |
| pro_mdlNumber： | MFCD18086904 |
| pro_acceptors： | 11 |
| pro_donors： | 5 |
| pro_smile： | c1c(c(=O)c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N |
| InChi： | InChI=1S/C13H15N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8-9,13,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-,9-,13-/m1/s1 |
| InChiKey： | InChIKey=SPBWHPXCWJLQRU-FITJORAGSA-N |
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