basic_info |
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Product_Name: | ARUGOMYCIN |
CAS: | 88465-80-9 |
EnglishSynonyms: | ARUGOMYCIN |
pro_mdlNumber: | MFCD01664749 |
pro_acceptors: | 39 |
pro_donors: | 8 |
pro_smile: | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2[C@@H](O[C@@H](C[C@@]2(C)[N+](=O)[O-])O[C@@H]3[C@@H](O[C@H](C[C@@H]3O)O[C@H]4[C@H]([C@@H]([C@@H]5Oc6c(cc(c7c6C(=O)c8cc9c(c(c8C7=O)O)[C@H](C[C@]([C@@H]9C(=O)OC)(C)O)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)OC(=O)/C=C/C(=O)O)OC)OC)O)OC)O)[C@]4(O5)C)O)N(C)C)C)C)OC)O |
InChi: | InChI=1S/C80H112N2O37/c1-30-63(89)43(98-13)24-55(103-30)116-74-36(7)109-56(29-78(74,8)82(96)97)115-69-32(3)105-51(23-42(69)85)117-75-62(81(11)12)67(93)77-118-73-39(80(75,10)119-77)21-40(83)59-60(73)64(90)38-20-37-57(65(91)58(38)66(59)92)47(28-79(9,95)61(37)76(94)102-17)110-52-25-45(100-15)71(34(5)106-52)113-50-22-41(84)68(31(2)104-50)112-53-27-46(101-16)72(35(6)108-53)114-54-26-44(99-14)70(33(4)107-54)111-49(88)19-18-48(86)87/h18-21,30-36,41-47,50-56,61-63,67-72,74-75,77,83-85,89,91,93,95H,22-29H2,1-17H3,(H,86,87)/b19-18+/t30-,31-,32-,33-,34-,35-,36-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-,53-,54-,55-,56+,61-,62-,63+,67-,68+,69+,70+,71+,72+,74-,75-,77+,78+,79-,80+/m0/s1 |
InChiKey: | InChIKey=MWGPOKWHXRTZII-ZWFIICQYSA-N |
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