basic_info |
|
Product_Name: | METHYL ALPHA-AMANITIN OLEATE |
EnglishSynonyms: | METHYL ALPHA-AMANITIN OLEATE |
pro_mdlNumber: | MFCD04974183 |
pro_acceptors: | 25 |
pro_donors: | 11 |
pro_smile: | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]([C@H](C)[C@H]1C(=O)N[C@H]2Cc3c4ccc(cc4[nH]c3S(=O)C[C@@H](C(=O)N[C@H](C(=O)N5CC(C[C@H]5C(=O)N1)O)CC(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)[C@@H](C)CC)OC)O |
InChi: | InChI=1S/C58H88N10O15S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-49(74)83-32-45(70)35(4)51-56(79)63-41-27-39-38-24-23-37(82-5)26-40(38)65-57(39)84(81)33-43(62-47(72)29-61-55(78)50(34(3)7-2)66-48(73)30-60-52(41)75)53(76)64-42(28-46(59)71)58(80)68-31-36(69)25-44(68)54(77)67-51/h14-15,23-24,26,34-36,41-45,50-51,65,69-70H,6-13,16-22,25,27-33H2,1-5H3,(H2,59,71)(H,60,75)(H,61,78)(H,62,72)(H,63,79)(H,64,76)(H,66,73)(H,67,77)/b15-14-/t34-,35-,36?,41-,42-,43-,44-,45-,50-,51-,84?/m0/s1 |
InChiKey: | InChIKey=QGHFTAHKTBTSNR-KRGLVCSYSA-N |
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