basic_info |
|
| Product_Name： | BATUMIN |
| EnglishSynonyms： | BATUMIN |
| pro_mdlNumber： | MFCD04037008 |
| pro_acceptors： | 9 |
| pro_donors： | 4 |
| pro_smile： | CC(C/C=C/C=C\CCC(=C)CC(C)C/C(=C/C(=O)O)/C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O |
| InChi： | InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+ |
| InChiKey： | InChIKey=GENAAYFYLGYPIQ-JOPGMDTFSA-N |
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