189496 -OEChem-04242414372D 140142 0 1 0 0 0 0 0999 V2000 5.2980 5.1506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 3.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4788 -0.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7844 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3004 -4.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9876 0.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2108 2.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4788 2.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6869 -0.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9239 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 3.5414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 4.1801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9945 3.5924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2157 4.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7840 -2.5215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8180 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5251 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2108 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2108 -0.4178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5592 -3.7463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8521 -3.0392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6128 0.0822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1128 0.9482 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3807 3.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6500 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 -0.4178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3448 0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 3.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 4.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1768 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8521 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1128 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 2.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -3.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5592 -1.3321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7555 1.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 1.0822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2108 1.5822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7467 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3448 1.0822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0769 0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4788 1.5822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5251 -1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7806 0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3808 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3542 1.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5933 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7840 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5769 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6128 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3504 1.0461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7467 1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4413 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7730 0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6128 3.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8975 2.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 5.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 5.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 4.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 4.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 2.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2758 -2.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2311 -2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8386 -2.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5792 -4.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1428 -3.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6215 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8010 -1.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9976 -4.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3366 -2.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0512 0.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9600 -2.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1869 -1.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 -1.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2837 -0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8573 3.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 4.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7369 5.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0163 -1.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -0.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3372 -0.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6497 2.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -2.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3554 -3.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -3.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 -0.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 1.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1541 2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 2.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6757 0.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1267 -1.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 -2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -1.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7388 -5.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 0.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 -0.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4780 0.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7669 -0.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 -0.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8351 -2.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 2.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 1.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6907 1.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7538 -0.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 -0.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4328 -1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3828 -0.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1138 1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8869 2.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0399 2.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 1.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9680 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 2.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 2.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0590 2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 2.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8237 2.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2271 0.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -0.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 -0.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0350 -0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3349 0.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9228 3.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 3.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3028 2.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5416 1.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 34 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 27 1 0 0 0 0 3 32 1 0 0 0 0 4 24 1 0 0 0 0 4 50 1 0 0 0 0 5 25 1 0 0 0 0 5104 1 0 0 0 0 6 28 1 0 0 0 0 6110 1 0 0 0 0 7 32 2 0 0 0 0 8 36 2 0 0 0 0 9 43 1 0 0 0 0 9126 1 0 0 0 0 10 46 1 0 0 0 0 10130 1 0 0 0 0 11 48 1 0 0 0 0 11 63 1 0 0 0 0 12 50 2 0 0 0 0 13 58 1 0 0 0 0 13140 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 64 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 20 71 1 0 0 0 0 21 23 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 25 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 24 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 32 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 78 1 0 0 0 0 26 36 1 0 0 0 0 26 39 1 0 0 0 0 26 79 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 80 1 0 0 0 0 28 37 1 0 0 0 0 28 41 1 0 0 0 0 29 33 1 0 0 0 0 29 34 2 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 31 84 1 0 0 0 0 33 38 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 40 1 0 0 0 0 37 38 2 3 0 0 0 37 91 1 0 0 0 0 38 51 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 49 1 0 0 0 0 40 53 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 42 55 1 0 0 0 0 42 99 1 0 0 0 0 43 46 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 57 2 3 0 0 0 45106 1 0 0 0 0 46 48 1 0 0 0 0 46105 1 0 0 0 0 47 54 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 48 56 1 0 0 0 0 48109 1 0 0 0 0 49 54 2 3 0 0 0 49111 1 0 0 0 0 50 52 1 0 0 0 0 51112 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 52 58 1 0 0 0 0 52 60 1 0 0 0 0 52115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 53118 1 0 0 0 0 54119 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56 59 2 3 0 0 0 56 61 1 0 0 0 0 57 59 1 0 0 0 0 57123 1 0 0 0 0 58 62 1 0 0 0 0 58124 1 0 0 0 0 59125 1 0 0 0 0 60127 1 0 0 0 0 60128 1 0 0 0 0 60129 1 0 0 0 0 61131 1 0 0 0 0 61132 1 0 0 0 0 61133 1 0 0 0 0 62134 1 0 0 0 0 62135 1 0 0 0 0 62136 1 0 0 0 0 63137 1 0 0 0 0 63138 1 0 0 0 0 63139 1 0 0 0 0 M END > 189496 > 1 > 1670 > 14 > 5 > 10 > AAADcfB+PABAAAAAAAAAAAAAEgAAAWAAAAAAAAAAAAAAAAABgAAAHgQACAAADVyl1gKiiRIIFgisA6TyTAYA8KBhCjgICBVwIAgLNBYgsQSHUAAH4AC7sAOIyPCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [24-[4-[2-(2,3-dimethyloxiran-2-yl)thiazol-4-yl]-1-hydroxy-1,3-dimethyl-but-2-enyl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methyl-butanoate > 3-hydroxy-2-methylbutanoic acid [24-[5-[2-(2,3-dimethyl-2-oxiranyl)-4-thiazolyl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] ester > [24-[5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate > [24-[5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methylpent-3-en-2-yl]-8,16,17-trihydroxy-18-methoxy-3,6,9,11,15,19,23-heptamethyl-2,10-dioxo-1-oxacyclotetracosa-12,19,21-trien-3-yl] 3-hydroxy-2-methylbutanoate > [24-[5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-oxidanyl-pent-3-en-2-yl]-18-methoxy-3,6,9,11,15,19,23-heptamethyl-8,16,17-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetracosa-12,19,21-trien-3-yl] 2-methyl-3-oxidanyl-butanoate > 3-hydroxy-2-methyl-butyric acid [24-[4-[2-(2,3-dimethyloxiran-2-yl)thiazol-4-yl]-1-hydroxy-1,3-dimethyl-but-2-enyl]-8,16,17-trihydroxy-2,10-diketo-18-methoxy-3,6,9,11,15,19,23-heptamethyl-1-oxacyclotetracosa-12,19,21-trien-3-yl] ester > InChI=1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3 > YAVOPZRQLVNNOF-UHFFFAOYSA-N > 6.7 > 903.51664807 > C49H77NO12S > 904.2 > CC1CCC(C(=O)OC(C(C=CC=C(C(C(C(C(CC=CC(C(=O)C(C(C1)O)C)C)C)O)O)OC)C)C)C(C)(C=C(C)CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O > CC1CCC(C(=O)OC(C(C=CC=C(C(C(C(C(CC=CC(C(=O)C(C(C1)O)C)C)C)O)O)OC)C)C)C(C)(C=C(C)CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O > 234 > 903.51664807 > 0 > 63 > 0 > 16 > 0 > 4 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 34 8 46 10 3 48 11 3 58 13 3 14 18 8 14 29 8 15 17 3 16 19 3 20 30 3 24 35 3 26 39 3 29 34 8 27 3 3 31 44 3 37 38 1 40 53 3 42 55 3 45 57 1 49 54 1 25 5 3 52 60 3 56 59 1 28 6 3 43 9 3 $$$$