basic_info |
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Product_Name: | 瑞洛霉素 |
CAS: | 1404-48-4 |
中文同义词: | 瑞洛霉素 |
EnglishSynonyms: | RELOMYCIN |
pro_mdlNumber: | MFCD00865096 |
pro_acceptors: | 18 |
pro_donors: | 6 |
pro_smile: | CC[C@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@@H]2[C@H]([C@@H](C([C@@H](O2)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)O)N(C)C)O)CCO)C)\C)CO[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)C)O)OC)OC |
InChi: | InChI=1S/C46H79NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,18,24-30,32-33,35-45,48,50,52-55H,13,16-17,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26+,27+,28-,29+,30-,32-,33+,35-,36+,37+,38+,39-,40?,41+,42+,43-,44-,45+,46+/m1/s1 |
InChiKey: | InChIKey=QDAVFUSCCPXZTE-JWOKDFKBSA-N |
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