71219155 -OEChem-04232410362D 84 86 0 1 0 0 0 0 0999 V2000 2.9013 -2.3812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 3.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 0.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 0.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -3.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 2.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6801 0.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8141 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 2.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5461 2.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9480 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 2.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5461 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 -0.0447 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0820 2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5461 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -0.0447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6769 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 3.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 0.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 3.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 -0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 0.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 -0.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 0.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 3.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 3.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7221 2.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9491 3.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 3.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 0.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 1.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 -1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2126 -1.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 4.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 3.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 4.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 0.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -0.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 -1.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 1.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 1.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 0.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -1.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 -4.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -4.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -3.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -4.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 11 2 1 6 0 0 0 2 66 1 0 0 0 0 3 16 1 0 0 0 0 3 71 1 0 0 0 0 4 15 2 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 29 2 0 0 0 0 7 33 1 0 0 0 0 7 35 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 6 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 6 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 1 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 14 25 1 6 0 0 0 16 23 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 6 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 28 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 29 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 6 0 0 0 27 70 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 33 1 0 0 0 0 32 78 1 0 0 0 0 33 34 2 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 M END > 71219155 > 1 > 848 > 7 > 2 > 4 > AAADcfB6OABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABgAAAHgQACAAADxyl1gKiiRIIFgisA6TyTACC8KBhCjgAiBUwIBgIFBagIQAGUAAFoACooAeI7uTvgAAAAAAAAABAAAQAABAAAAAAAAAAAA== > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-2-(2-ethylthiazol-4-yl)-1-methyl-vinyl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-1-(2-ethyl-4-thiazolyl)prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1,8,9,15-tetramethyl-2,14-bis(oxidanyl)-5-oxabicyclo[11.3.1]heptadecane-4,16-dione > (1R,6S,8S,9S,13R,14S,15R)-9-ethyl-6-[(E)-2-(2-ethylthiazol-4-yl)-1-methyl-vinyl]-2,14-dihydroxy-1,8,9,15-tetramethyl-5-oxabicyclo[11.3.1]heptadecane-4,16-quinone > InChI=1S/C30H47NO5S/c1-8-25-31-22(17-37-25)13-18(3)23-14-19(4)29(6,9-2)12-10-11-21-16-30(7,24(32)15-26(33)36-23)28(35)20(5)27(21)34/h13,17,19-21,23-24,27,32,34H,8-12,14-16H2,1-7H3/b18-13+/t19-,20+,21+,23-,24?,27+,29-,30+/m0/s1 > FBDYYBSBJZGVJK-ILHJRAPVSA-N > 6.6 > 533.31749477 > C30H47NO5S > 533.8 > CCC1=NC(=CS1)C=C(C)C2CC(C(CCCC3CC(C(CC(=O)O2)O)(C(=O)C(C3O)C)C)(C)CC)C > CCC1=NC(=CS1)/C=C(\C)/[C@@H]2C[C@@H]([C@@](CCC[C@@H]3C[C@](C(CC(=O)O2)O)(C(=O)[C@@H]([C@H]3O)C)C)(C)CC)C > 125 > 533.31749477 > 0 > 37 > 7 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 34 8 1 35 8 12 22 5 14 25 6 19 26 6 11 2 6 27 30 6 16 3 3 33 34 8 7 33 8 7 35 8 8 38 6 9 20 6 $$$$