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0 0 0 0 0 0 -2.0777 0.2862 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4789 0.1012 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -1.0420 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -0.0727 -3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 0.6833 -2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5368 2.4876 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 2.8096 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 0.8024 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0637 4.2560 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5786 4.3813 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 5.2849 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 0.3921 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 1.4172 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1862 0.2321 0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 -1.0969 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2384 -1.8396 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 -1.8864 -3.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -1.6597 -3.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 -2.7707 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9687 -3.9885 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -3.5858 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5758 2.8785 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3334 2.7725 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 4.1690 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 -4.9230 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -5.5141 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 4.6608 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 -3.6608 -0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3983 0.3899 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3146 -0.9376 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4478 0.4437 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 -1.5974 1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6344 -1.8312 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -0.3922 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 1.7548 -2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.2648 -3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 3.6271 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6955 3.8090 -2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8737 3.0532 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5441 1.3453 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2157 2.1515 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 -3.1001 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1818 -4.8398 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 -4.2288 2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 -5.9926 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 -5.4744 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -6.3484 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2724 -7.2272 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 2 26 1 0 0 0 0 3 21 1 0 0 0 0 3 35 1 0 0 0 0 4 26 1 0 0 0 0 4 34 1 0 0 0 0 5 20 2 0 0 0 0 6 32 1 0 0 0 0 6 36 1 0 0 0 0 7 24 1 0 0 0 0 7 88 1 0 0 0 0 8 35 1 0 0 0 0 8 42 1 0 0 0 0 9 29 1 0 0 0 0 9 96 1 0 0 0 0 10 36 2 0 0 0 0 11 40 1 0 0 0 0 11 48 1 0 0 0 0 12 41 1 0 0 0 0 12106 1 0 0 0 0 13 30 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 62 1 0 0 0 0 26 29 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 32 1 0 0 0 0 28 39 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 30 33 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 43 1 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 44 1 0 0 0 0 34 76 1 0 0 0 0 35 38 1 0 0 0 0 35 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 40 41 1 0 0 0 0 40 86 1 0 0 0 0 41 42 1 0 0 0 0 41 87 1 0 0 0 0 42 47 1 0 0 0 0 42 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 M END > DB11442 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZPAKFUAFGMUPI-QESOVKLGSA-N/SDF?record_type=3d > CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O > InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1 > RZPAKFUAFGMUPI-QESOVKLGSA-N > C35H61NO12 > 687.868 > 687.419376408 > 12 > 109 > 73.86662087140436 > 0 > 3 > 0 > 0 > (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-14-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-hydroxy-12-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-1,9-dioxaspiro[2.13]hexadecane-4,10-dione > 1.46 > 2.975138413666669 > -3.23 > 1 > 4 > 1 > 13.338767048116424 > 12.674957242517467 > 9.002299295084537 > 162.68 > 173.6925 > 6 > 0 > 4.07e-01 g/l > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-formylphenoxyphosphonic acid > 0 $$$$