HMDB0113914 RDKit 3D PE-NMe2(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -6.8618 8.4120 3.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5575 6.9817 2.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8663 6.0694 3.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 5.2801 4.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 5.0483 4.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 5.7895 3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 5.3293 2.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 3.8934 2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 3.7040 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 3.1077 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 2.5674 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8666 1.0976 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 0.5618 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 1.2543 -2.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 1.1103 -3.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 2.0712 -4.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 3.4683 -4.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 4.3215 -4.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 4.2372 -5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 3.2164 -5.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 1.8518 -5.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 1.0564 -5.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 1.5720 -6.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 -0.1902 -5.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -1.0619 -5.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7175 -1.2637 -4.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 -1.7546 -3.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6158 -2.0146 -2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 -1.8363 -1.9639 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -2.5204 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -2.7676 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -3.2450 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -2.2436 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -2.7820 1.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 -1.7604 3.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4677 -2.3797 4.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 -1.4994 5.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 -1.0023 5.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1316 -1.2627 4.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -1.9251 5.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3547 -1.0246 7.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 0.2772 6.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -2.3661 -6.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 -2.9390 -4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 -4.4062 -5.4189 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8285 -4.6153 -6.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -4.4998 -4.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 -5.6337 -4.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -6.7237 -4.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -7.7340 -3.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -7.1598 -2.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 -8.1783 -1.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -6.9480 -1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 9.1367 2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3313 8.6100 4.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9619 8.4513 3.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5772 6.9683 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 6.8657 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9294 6.0457 4.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5162 4.6575 5.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 5.2265 5.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 3.9506 4.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 6.8884 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6169 6.0222 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 3.5075 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 3.2648 2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8234 4.0592 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 3.0020 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 2.7147 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 3.0876 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 0.4852 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -0.5401 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 2.2243 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 0.5655 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 0.0844 -4.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 1.8221 -5.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 3.9312 -4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 3.6701 -3.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 5.4215 -4.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4611 4.3239 -6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 4.4833 -3.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 5.2553 -5.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 3.6259 -5.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 3.1079 -6.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 1.2669 -5.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 1.8032 -3.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -0.6737 -6.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5642 -1.9263 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1497 -0.2645 -4.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -3.4530 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -1.7891 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 -3.4766 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 -1.8108 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 -3.4425 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 -4.2074 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -2.0479 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 -1.2948 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -3.7656 2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.8662 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -1.5773 3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -0.8649 2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 -3.2875 4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4198 -2.7634 3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 -1.2591 5.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 -0.3490 6.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -0.3062 4.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 -1.9441 4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 -2.1235 5.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -2.8771 6.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -1.5273 7.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.8629 7.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 0.5985 7.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 0.2007 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 1.0810 6.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 -2.1210 -6.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8982 -3.0901 -6.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -5.0015 -5.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 -7.2191 -5.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -6.5008 -3.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -8.6222 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 -7.9166 -4.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 -9.1877 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -7.9313 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 -8.1335 -2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -6.5720 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -6.2310 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 -7.9197 -1.1054 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 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 2 0 16 17 1 0 17 18 1 0 18 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 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 25 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 52122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M END