69534787 -OEChem-04262403592D 116116 0 1 0 0 0 0 0999 V2000 10.7520 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4841 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.0921 11.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 8.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 10.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 11.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 13.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 13.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 6.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 7.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 7.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6180 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8860 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2520 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2520 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 10.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5921 7.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 14.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 8.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 4.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.8175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 5.8175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0921 10.5991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9581 10.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2260 10.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2260 9.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0921 8.5991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9581 9.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 12.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2260 13.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3600 13.5991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4940 13.0991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4940 12.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8601 7.7330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6901 10.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 13.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 7.7331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3600 6.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5562 10.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 15.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 6.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 6.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 8.1835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3600 5.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 9.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 8.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 8.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 6.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 6.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 9.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 8.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 5.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 10.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 9.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 10.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 9.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 10.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 8.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6537 8.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 8.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 9.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 12.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 13.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 13.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 11.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2121 7.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2821 7.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8834 12.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2819 11.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5501 8.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 10.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2916 9.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0887 9.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 14.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 14.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 13.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 14.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 7.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 13.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 12.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 7.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 6.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8662 10.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0931 10.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2462 11.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5360 14.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 15.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 15.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5501 5.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 8.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 9.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 8.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 4.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 5.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 9.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 8.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 8.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 8.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 7.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 8.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 8.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 9.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 10.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 5.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 5.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 7.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 11.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 11.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 10.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 9.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 1 16 2 0 0 0 0 24 3 1 1 0 0 0 30 3 1 1 0 0 0 27 4 1 1 0 0 0 4 35 1 0 0 0 0 26 5 1 6 0 0 0 5 73 1 0 0 0 0 6 30 1 0 0 0 0 6 34 1 0 0 0 0 31 7 1 1 0 0 0 7 81 1 0 0 0 0 33 8 1 6 0 0 0 8 82 1 0 0 0 0 9 35 1 0 0 0 0 9 42 1 0 0 0 0 10 50 2 0 0 0 0 11 51 2 0 0 0 0 12 54 2 0 0 0 0 14116 1 0 0 0 0 25 17 1 6 0 0 0 17 36 1 0 0 0 0 17 67 1 0 0 0 0 28 18 1 6 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 32 19 1 6 0 0 0 19 41 1 0 0 0 0 19 79 1 0 0 0 0 20 38 1 0 0 0 0 20 92 1 0 0 0 0 20 93 1 0 0 0 0 21 46 1 0 0 0 0 21106 1 0 0 0 0 21107 1 0 0 0 0 22 50 1 0 0 0 0 22 54 1 0 0 0 0 22108 1 0 0 0 0 23 51 1 0 0 0 0 23 54 1 0 0 0 0 23109 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 29 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 35 72 1 0 0 0 0 36 40 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 39 43 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 43 2 0 0 0 0 42 46 1 0 0 0 0 43 91 1 0 0 0 0 44 45 1 0 0 0 0 44 48 1 0 0 0 0 44 50 1 0 0 0 0 44 51 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 45 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 52 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 53 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 52 55 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 53 56 2 0 0 0 0 53110 1 0 0 0 0 55111 1 0 0 0 0 55112 1 0 0 0 0 55113 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 M CHG 2 2 1 13 -1 M END > 69534787 > 1 > 1110 > 19 > 11 > 13 > AAADcfB/vCBAAAAAAAAAAAAAAAAAAAAAAAA8SIEAAAAAAAAAAAAAHgAQCAAAD3zxgAcDCALABoCIACFSEDCACAAgIAAICIEIAAiTEBoIwQAnQAAPlSKfAAP4+A8PgAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > sodium;5-allyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione;(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;hydrogen sulfate > sodium;(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;hydrogen sulfate;5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione > sodium;(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;hydrogen sulfate;5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione > sodium;(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;hydrogen sulfate;5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione > sodium;(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;hydrogen sulfate;5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione > sodium;5-allyl-5-(1-methylbutyl)barbituric acid;(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;bisulfate > InChI=1S/C21H41N5O7.C12H18N2O3.Na.H2O4S/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;1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;;1-5(2,3)4/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);;(H2,1,2,3,4)/q;;+1;/p-1/t11?,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-;;;/m0.../s1 > MCFSOTCNWQUSOW-JFGOATLKSA-M > 833.38166507 > C33H60N7NaO14S > 833.9 > CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C.CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.OS(=O)(=O)[O-].[Na+] > CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C.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.OS(=O)(=O)[O-].[Na+] > 361 > 833.38166507 > 0 > 56 > 9 > 3 > 0 > 0 > 0 > 4 > -1 > 2 13 7 > 1 5 255 > 25 17 6 28 18 6 32 19 6 38 20 3 24 3 5 30 3 5 27 4 5 35 4 3 45 49 3 26 5 6 31 7 5 33 8 6 $$$$