9822159 -OEChem-05142404492D 67 70 0 1 0 0 0 0 0999 V2000 4.5390 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 2.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 4.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 5.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 0.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.7751 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6730 -3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -4.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -4.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -5.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -4.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 0.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 2.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8691 2.7751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2711 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 3.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0031 4.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0031 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -4.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -5.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -4.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -3.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -3.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -3.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -4.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -3.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -3.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -6.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -5.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -5.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -5.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -4.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -5.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 -0.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0156 -0.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 1.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 3.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8816 1.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6605 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5265 3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 4.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 4.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 1.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 2.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7352 4.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 5.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 0.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 22 2 1 6 0 0 0 2 64 1 0 0 0 0 26 3 1 1 0 0 0 3 65 1 0 0 0 0 27 4 1 6 0 0 0 4 66 1 0 0 0 0 5 28 1 0 0 0 0 5 67 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 1 0 0 0 21 52 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 M END > 9822159 > 1 > 474 > 6 > 4 > 9 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAAAAAAAHgAACAAADzzhgAYAAAMABgAAAAAAAAAAAAAAAAAAAAAIAAADEAIAgAAGQAAHAACRAAHw8OYPAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA== > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol > (2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-methylol-piperidine-3,4,5-triol > InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1 > XVYLNHVEAOOEGI-FAIWKWDXSA-N > 1.9 > 397.28282334 > C22H39NO5 > 397.5 > C1C2CC3CC1CC(C2)(C3)COCCCCCN4CC(C(C(C4CO)O)O)O > C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC23CC4CC(C2)CC(C4)C3)CO)O)O)O > 93.4 > 397.28282334 > 0 > 28 > 4 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 22 2 6 21 28 5 26 3 5 27 4 6 $$$$