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0 0 0 0 0 0 0 0 0 0 1.6447 0.1541 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 -1.0986 3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -2.8177 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 -3.0178 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -5.9761 2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -7.9245 2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -7.7228 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -6.9004 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 -4.1196 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2731 -3.1041 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 -1.3452 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7172 -0.6164 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0436 0.6511 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 2.2077 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1428 3.5932 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 3.2622 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2422 2.7423 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0248 -0.1817 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9464 -0.2990 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9866 -1.6161 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9273 -2.7090 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4971 -2.1045 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3010 0.5373 -2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1806 0.8635 -2.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7346 -1.6267 -2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0593 -1.1699 -3.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5193 -1.7781 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 -0.2808 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -1.6107 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -2.2483 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 0.1918 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4140 -6.5781 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5420 -5.2207 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 62 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 6 0 0 0 77 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 73 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 54 90 1 0 0 0 0 90 91 2 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 93 94 1 0 0 0 0 9 95 2 0 0 0 0 2 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 95 6 1 0 0 0 0 15 10 1 0 0 0 0 21 17 1 0 0 0 0 41 37 1 0 0 0 0 87 45 1 0 0 0 0 94 90 1 0 0 0 0 92 12 1 0 0 0 0 50 46 1 0 0 0 0 67 59 1 0 0 0 0 86 75 1 0 0 0 0 89 60 1 0 0 0 0 66 61 1 0 0 0 0 83 77 1 0 0 0 0 1 99 1 0 0 0 0 1100 1 0 0 0 0 3101 1 0 0 0 0 7102 1 0 0 0 0 14103 1 0 0 0 0 16104 1 0 0 0 0 20105 1 0 0 0 0 24106 1 0 0 0 0 25107 1 1 0 0 0 26108 1 1 0 0 0 27109 1 0 0 0 0 27110 1 0 0 0 0 27111 1 0 0 0 0 28112 1 0 0 0 0 31113 1 0 0 0 0 34114 1 0 0 0 0 34115 1 0 0 0 0 34116 1 0 0 0 0 36117 1 0 0 0 0 36118 1 0 0 0 0 36119 1 0 0 0 0 40120 1 0 0 0 0 44121 1 0 0 0 0 45122 1 6 0 0 0 49123 1 0 0 0 0 53124 1 0 0 0 0 54125 1 1 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 63128 1 0 0 0 0 64129 1 0 0 0 0 65130 1 0 0 0 0 68131 1 0 0 0 0 69132 1 0 0 0 0 69133 1 0 0 0 0 73134 1 6 0 0 0 75135 1 6 0 0 0 76136 1 0 0 0 0 76137 1 0 0 0 0 78138 1 0 0 0 0 78139 1 0 0 0 0 78140 1 0 0 0 0 80141 1 0 0 0 0 80142 1 0 0 0 0 82143 1 0 0 0 0 82144 1 0 0 0 0 82145 1 0 0 0 0 83146 1 6 0 0 0 84147 1 6 0 0 0 85148 1 0 0 0 0 85149 1 0 0 0 0 85150 1 0 0 0 0 87151 1 1 0 0 0 89152 1 0 0 0 0 89153 1 0 0 0 0 93154 1 0 0 0 0 97155 1 0 0 0 0 97156 1 0 0 0 0 M END > NP0007341 > NP-MRD > [H]ON1C2=C([H])C([H])=C([H])C3=C2C2=C1C(=O)OC([H])([H])[C@]1([H])N([H])C(=O)C4=C([H])SC(=N4)[C@@]([H])(N([H])C(=O)C4=C([H])SC(=N4)\C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C4=C([H])SC(=N4)C4=C(N=C(C5=NC(=C([H])S5)C(=O)N([H])C(=C([H])[H])C(=O)N([H])[H])C(O[H])=C4[H])C4=C([H])SC1=N4)[C@]([H])(O[H])C([H])([H])[H])=C(/OC([H])([H])[H])C([H])([H])[H])[C@]([H])(OC2([H])[H])[C@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]2([H])N(C([H])([H])[H])C([H])([H])O[C@@]2(C([H])([H])[H])C1([H])[H])C(=O)OC3([H])[H] > InChI=1S/C61H58N14O18S5/c1-22(48(62)78)63-49(79)31-18-97-57(68-31)42-36(77)11-27-41(70-42)30-16-95-55(65-30)29-15-90-59(84)44-28-14-88-45(46(60(85)89-13-26-9-8-10-35(38(26)28)75(44)86)93-37-12-61(5)47(25(4)92-37)74(6)21-91-61)43(58-69-32(19-98-58)50(80)64-29)73-52(82)34-20-96-56(67-34)40(24(3)87-7)72-53(83)39(23(2)76)71-51(81)33-17-94-54(27)66-33/h8-11,16-20,23,25,29,37,39,43,45-47,76-77,86H,1,12-15,21H2,2-7H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25+,29+,37+,39+,43+,45+,46+,47-,61+/m1/s1 > GYOHFSLEKIIJMU-UMNFMQIXSA-N > C61H58N14O18S5 > 1435.52 > 1434.265706954 > 23 > 156 > 144.50056405200652 > 0 > 9 > 0 > 0 > 2-({2-[(1S,18S,21E,28S,30S)-30-{[(3aR,4S,6S,7aS)-3,4,7a-trimethyl-hexahydro-2H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy}-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6(11),7,9,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide > 3.16 > 1.64885983560207 > -5.31 > 1 > 13 > 0 > 10.088695286657419 > 7.669060009730829 > 5.77147514065658 > 433.5400000000001 > 367.63509999999997 > 8 > 0 > 7.07e-03 g/l > 2-({2-[(1S,18S,21E,28S,30S)-30-{[(3aR,4S,6S,7aS)-3,4,7a-trimethyl-tetrahydro-2H-pyrano[3,4-d][1,3]oxazol-6-yl]oxy}-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6(11),7,9,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide > 0 > NP0007341 > Thiazomycin $$$$