basic_info |
|
| Product_Name： | NEOECHINULIN A |
| CAS： | 51551-29-2 |
| EnglishSynonyms： | NEOECHINULIN A |
| pro_mdlNumber： | MFCD09752743 |
| pro_acceptors： | 5 |
| pro_donors： | 3 |
| pro_smile： | C[C@H]1C(=O)N/C(=C\c2c3ccccc3[nH]c2C(C)(C)C=C)/C(=O)N1 |
| InChi： | InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1 |
| InChiKey： | InChIKey=MYRPIYZIAHOECW-SAIXKJTDSA-N |
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