68435014 -OEChem-04252412022D 95 97 0 1 0 0 0 0 0999 V2000 11.2050 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 6.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2050 9.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 9.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 3.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2847 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5352 5.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 6.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 4.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 10.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 6.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 7.8756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 6.6156 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.2050 6.8671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0710 6.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3390 6.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3390 5.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2050 4.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0710 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 8.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4730 9.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3390 9.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6069 9.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6069 8.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8031 6.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1069 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4730 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6691 6.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 5.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 6.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 6.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 4.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 7.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2633 6.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7419 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6080 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 6.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 4.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7666 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2831 4.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 5.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 7.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 10.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 9.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 7.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9963 8.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3949 7.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3951 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 4.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 6.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4045 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2016 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6439 10.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7969 10.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 11.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7419 9.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 8.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9791 6.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2060 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3591 7.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 10.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8759 11.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0290 11.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6631 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 5.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9479 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9479 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2830 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 5.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 4.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 4.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 5.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6388 8.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 6.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 6.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 7.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 3.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 25 1 1 1 0 0 0 22 2 1 1 0 0 0 2 30 1 0 0 0 0 21 3 1 6 0 0 0 3 62 1 0 0 0 0 4 25 1 0 0 0 0 4 29 1 0 0 0 0 27 5 1 1 0 0 0 5 70 1 0 0 0 0 28 6 1 6 0 0 0 6 71 1 0 0 0 0 7 30 1 0 0 0 0 7 37 1 0 0 0 0 8 43 1 0 0 0 0 8 95 1 0 0 0 0 9 18 1 0 0 0 0 10 18 2 0 0 0 0 20 11 1 6 0 0 0 11 31 1 0 0 0 0 11 56 1 0 0 0 0 23 12 1 6 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 26 13 1 6 0 0 0 13 36 1 0 0 0 0 13 68 1 0 0 0 0 14 33 1 0 0 0 0 14 81 1 0 0 0 0 14 82 1 0 0 0 0 15 39 1 0 0 0 0 15 85 1 0 0 0 0 15 86 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 41 2 0 0 0 0 17 44 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 61 1 0 0 0 0 31 35 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 69 1 0 0 0 0 34 38 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 80 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 43 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 45 1 0 0 0 0 42 44 2 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 M CHG 2 9 -1 18 1 M END > 68435014 > 1 > 843 > 16 > 9 > 10 > AAADcfB7/AAAAAAAAAAAAAAAAAAAAWAAAAA0QIAAAAAAAAABgAAAHgAUCAAADHzxgwcvuBfcVgChADJnZwCAiC0xMqAhSIAYMAqTWAIAyQA3QAAPkIKfACPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;2-(2-methyl-5-nitro-imidazol-1-yl)ethanol > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;2-(2-methyl-5-nitro-1-imidazolyl)ethanol > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;2-(2-methyl-5-nitroimidazol-1-yl)ethanol > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;2-(2-methyl-5-nitroimidazol-1-yl)ethanol > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-3-[[6-(aminomethyl)-3-azanyl-3,4-dihydro-2H-pyran-2-yl]oxy]-4-azanyl-6-(ethylamino)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;2-(2-methyl-5-nitro-imidazol-1-yl)ethanol > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;2-(2-methyl-5-nitro-imidazol-1-yl)ethanol > InChI=1S/C21H41N5O7.C6H9N3O3/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;1-5-7-4-6(9(11)12)8(5)2-3-10/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;4,10H,2-3H2,1H3/t11?,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-;/m0./s1 > PJJKMXYRHGOTQK-YOCZUHLISA-N > 646.36498982 > C27H50N8O10 > 646.7 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.CC1=NC=C(N1CCO)[N+](=O)[O-] > CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.CC1=NC=C(N1CCO)[N+](=O)[O-] > 284 > 646.36498982 > 0 > 45 > 9 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 1 5 25 1 5 20 11 6 23 12 6 26 13 6 33 14 3 16 41 8 16 42 8 17 41 8 17 44 8 22 2 5 30 2 3 21 3 6 42 44 8 27 5 5 28 6 6 $$$$