HMDB0267734 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-16:0) 118117 0 0 0 0 0 0 0 0999 V2000 -16.6524 -0.3394 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9598 -0.4847 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6065 0.2371 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8156 1.6903 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4942 2.4506 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8608 2.3038 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6819 1.7784 -1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8486 1.2717 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5595 1.9871 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4197 1.3987 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3090 -0.0591 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6356 -0.2247 -2.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 -0.8769 -2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8067 -1.5140 -1.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6723 -2.1634 -1.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 -2.8176 -0.3209 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1416 -3.9021 -0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 -1.9161 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 -2.7767 1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 -2.0650 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 -1.3520 1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 -1.1738 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.8679 2.4473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -0.1655 2.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 1.2758 1.7620 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7094 1.7079 0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 1.3275 -0.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 1.9635 -1.3492 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2122 3.4401 -1.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 1.1707 -2.7929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 1.7987 -0.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0301 1.8156 1.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 2.6841 2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 2.9941 3.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 3.2610 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1885 2.2434 1.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 1.0626 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 0.0515 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3919 0.6091 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 1.1398 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 0.1778 -1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.8473 -2.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6787 -1.8237 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9290 -1.2402 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5649 -2.3243 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7893 -1.9559 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 -1.4997 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8782 -0.2735 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0824 -1.2688 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4838 -1.0941 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1122 0.6713 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9414 -0.4792 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5647 -0.0172 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7721 -1.5468 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1139 0.1285 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0008 -0.2380 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4528 2.1805 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3238 1.8581 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7552 3.5476 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9536 2.1036 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4471 2.6721 -2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3079 1.7186 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3097 1.3848 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7757 0.1749 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6033 3.0651 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 1.9476 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6098 -0.4119 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1908 -0.6620 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 0.2306 -2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0973 -0.9390 -3.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -1.5038 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 -2.1807 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6265 -3.2877 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 -3.4796 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 -1.3619 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -1.2730 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -3.4877 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 -3.4158 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 -1.3375 3.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 -2.8026 3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.3421 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 -0.7016 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 1.7880 2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5916 2.8397 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 1.3758 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 0.4575 -2.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 2.6079 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 4.1255 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 3.5988 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 2.7479 1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3756 1.9488 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 1.3988 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 0.5558 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 -0.3687 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8279 -0.8038 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6566 1.4238 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0759 -0.2120 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 2.0237 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 1.6992 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -0.2657 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7245 0.8236 -2.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3057 -1.3957 -3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6538 -0.2824 -2.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 -2.7084 -2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0887 -2.3113 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7531 -0.2896 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6405 -0.9722 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6438 -3.2820 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7937 -2.5915 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5027 -1.2291 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 -2.8605 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 -2.2981 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8901 -0.4503 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1106 0.4592 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 0.3115 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8192 -2.0722 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6343 -1.1350 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6392 -0.3281 0.7344 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 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 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 1 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 30 86 1 0 31 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 48113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END