HMDB0294579 RDKit 3D DG(10:0/0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 97 97 0 0 0 0 0 0 0 0999 V2000 -15.3112 2.1910 2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0358 1.3516 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0215 0.9245 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0711 1.2300 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9080 2.0307 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6547 1.2107 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4776 0.0294 0.4946 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6441 1.1087 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1815 1.0208 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2125 0.9181 1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4038 -0.0721 1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2083 -1.3035 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0264 -1.6869 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 -1.8754 -1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2429 -1.7262 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 -3.0333 -2.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7996 -3.7020 -2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -3.2689 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -3.1456 -1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -2.0650 -1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.7821 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -0.2336 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 0.0430 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -0.0783 -1.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 0.4398 0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 0.7106 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -0.4385 -0.9531 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3175 -1.5026 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 -0.0494 -1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 0.3259 -1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 1.3546 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 2.2326 -0.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 1.4518 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9279 0.5962 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 0.4636 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1257 -0.1023 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0772 0.6384 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9769 -0.0651 2.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4051 -0.1300 1.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9602 1.2726 1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4177 1.0998 1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1589 1.4811 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2185 2.7620 3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3752 2.8728 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2217 1.9533 2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1826 0.4894 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8802 0.3102 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1896 0.8426 -1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8343 2.8644 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9019 2.5520 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3136 1.1042 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8196 1.5264 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0381 2.1125 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1236 0.3508 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1801 1.7836 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7246 0.0673 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -2.1391 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -1.4782 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 -1.8782 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3913 -2.1667 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -1.2952 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2884 -1.0309 -2.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -3.4611 -3.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 -4.6706 -2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -4.1405 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2194 -2.4049 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 -4.0644 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -2.1112 -2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.8013 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -0.0371 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 0.6656 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 -0.9686 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 0.9300 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 1.6006 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -0.9531 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 -1.1859 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 -0.8953 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 0.7598 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4563 2.5332 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2317 1.1300 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 0.8961 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -0.4514 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -0.1788 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 1.4956 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1950 -0.2674 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8043 -1.1881 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 1.6796 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 0.6309 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5914 -1.0858 2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9131 0.5342 3.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6081 -0.7099 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9625 -0.6312 2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9038 1.8393 2.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4304 1.7809 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0598 1.5903 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5985 1.6348 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6827 0.0382 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 8 6 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 26 73 1 0 26 74 1 0 27 75 1 6 28 76 1 0 29 77 1 0 29 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 40 93 1 0 40 94 1 0 41 95 1 0 41 96 1 0 41 97 1 0 M END