HMDB0298533 RDKit 3D DG(i-13:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0) 104103 0 0 0 0 0 0 0 0999 V2000 13.2023 0.2783 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0666 0.0931 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0322 1.4178 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8303 -0.7480 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 -0.0268 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 -0.8025 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 -1.1406 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 -1.9385 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 -1.2049 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 0.0670 -1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9248 -0.2789 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 -1.1662 -2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -0.5276 -2.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4622 0.6870 -2.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 -1.2415 -2.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0838 -0.7195 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.1148 -0.4845 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6835 -1.0151 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -1.4994 0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 0.3861 -0.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 1.7301 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 2.5176 -0.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 2.2037 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 3.7073 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1136 4.2756 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 3.7860 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 3.1159 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3648 2.7783 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5929 3.3904 2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6168 2.8358 2.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8393 1.4483 3.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8943 0.3986 3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0233 -0.6246 2.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2363 -0.8665 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7960 -2.1471 1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9528 -3.1946 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5866 -3.2492 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8541 -3.6210 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9670 -2.6542 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6517 -1.2909 -1.4892 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.8734 -0.3891 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4105 -1.3916 -2.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2501 0.5000 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5828 1.1107 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8214 -0.6490 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9942 -0.4651 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3919 2.2471 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0774 1.7226 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7647 1.4267 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7384 -0.9142 -1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9918 -1.7093 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 0.0306 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5548 1.0288 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4284 -1.7506 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 -0.1966 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 -0.1826 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7729 -1.7228 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -2.8348 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 -2.3001 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 -0.9335 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -1.8760 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 0.5972 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1082 0.7278 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7665 -0.7733 -3.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 0.6791 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -2.1874 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 -1.2880 -4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -0.0432 -2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -1.5945 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 0.7873 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -1.8329 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -0.4030 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 -1.1015 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 1.7754 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 1.8439 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 4.0541 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 4.1127 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 4.2937 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 5.3918 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1534 3.9986 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9936 2.7834 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 1.6740 1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4586 3.1185 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6383 4.5008 2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4630 3.5218 3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0438 1.4071 4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8673 1.1491 2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9335 0.3928 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -1.3752 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9636 -0.0398 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8554 -0.9096 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1054 -2.2137 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3912 -4.1437 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2088 -2.3523 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8763 -4.0930 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5686 -3.7012 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2239 -4.6289 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8508 -3.0900 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3367 -2.5199 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8166 -0.8256 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5529 -0.4852 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4168 -0.7004 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5769 0.6750 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5853 -0.9048 -3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 6 18 71 1 0 18 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 1 41101 1 0 41102 1 0 41103 1 0 42104 1 0 M END