HMDB0296317 RDKit 3D DG(20:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 128127 0 0 0 0 0 0 0 0999 V2000 0.5496 -6.1277 1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -6.6857 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -8.0758 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 -8.7132 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 -7.8959 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 -8.4539 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 -7.8613 -2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 -6.5762 -2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -5.7280 -2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -4.5169 -1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9881 -3.8705 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3436 -3.5268 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5549 -2.3193 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4543 -1.1405 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 -0.1685 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 0.8668 -1.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 0.4291 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8352 1.1570 1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 0.9736 2.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 2.0372 2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 1.9610 1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 1.8578 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 0.7395 -0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2731 2.9443 -1.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 3.0335 -2.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 2.4908 -3.3105 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2893 1.1329 -3.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 2.6769 -4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 3.9114 -5.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9087 5.1104 -5.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 5.0737 -4.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 6.3671 -5.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 7.2715 -4.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 6.9682 -4.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 5.8079 -3.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 5.6562 -3.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 4.4059 -2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 4.1288 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 2.9082 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 1.6930 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3062 0.4076 -0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 0.1594 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 0.9319 1.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 0.7943 2.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 1.6340 3.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 1.7123 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 0.5405 4.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5399 -0.6185 4.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 -0.2841 3.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9614 -1.5655 2.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -5.1153 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -6.1128 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4703 -6.7628 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -6.6363 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -5.9643 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 -8.6817 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -8.0392 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 -9.7273 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -8.7684 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 -8.1596 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -6.8478 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 -9.4836 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6395 -8.4445 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4771 -6.0256 -2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1821 -6.7364 -3.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -6.0685 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -3.9130 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -2.9495 -2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8313 -4.4178 -2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -4.3926 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8211 -2.2467 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -1.2578 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -0.5033 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -0.7098 -0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 1.7538 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 -0.5052 1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 2.1215 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 1.1891 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 0.0920 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 3.0814 1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 2.1758 3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 2.8374 1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 1.1030 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0298 2.7592 -2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 4.1699 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 2.9663 -3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 0.6274 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.9511 -4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 2.2261 -5.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 6.1796 -6.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 7.0079 -5.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 7.5276 -3.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 8.3283 -5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 7.8809 -3.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 6.9144 -5.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 5.9830 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 4.8489 -3.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 6.5447 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 5.4605 -3.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6867 4.5617 -1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 3.5325 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 4.9678 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 3.8355 -2.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 3.2180 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 2.8041 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 1.8586 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 1.5430 -2.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.4589 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 0.1747 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 0.3836 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 -0.9577 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9751 0.5516 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 1.9813 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -0.2998 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8023 1.0791 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 1.4193 4.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 2.7059 3.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2717 2.2268 3.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4253 2.5141 5.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.9090 5.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 0.1626 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -1.2982 3.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -1.2839 4.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 0.0810 3.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 0.5080 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6117 -1.4469 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0748 -1.6476 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -2.4407 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 6 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END