HMDB0114471 RDKit 3D PE-NMe2(22:2(13Z,16Z)/18:0) 147146 0 0 0 0 0 0 0 0999 V2000 -1.6642 -5.2584 -2.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 -5.7189 -2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5713 -5.3276 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5205 -3.8512 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -3.0370 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7705 -3.4185 -1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7341 -2.6120 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5369 -1.1851 -1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0968 -1.0135 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4349 -0.6051 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 -0.2415 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 -1.1139 2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -0.8563 2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -0.9452 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -0.0846 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 1.3941 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 2.2429 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 3.6990 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 4.2936 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 4.2019 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 4.8215 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 4.6812 -2.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 5.6290 -1.6838 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 3.6096 -2.7234 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 3.6512 -2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 2.4750 -3.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 2.3378 -5.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 1.2836 -5.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 0.9754 -7.2192 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7964 2.2437 -7.9788 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 -0.0426 -8.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 0.1147 -6.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 0.4914 -7.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -0.3444 -7.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7499 -0.0068 -8.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 1.3380 -8.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8592 -0.9141 -8.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 1.2450 -2.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5424 0.5433 -2.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 1.1045 -2.7973 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.7294 -1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 -0.6542 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 0.1920 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 0.2186 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 0.8177 2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 0.3872 1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 1.0699 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 0.7638 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 1.4290 4.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 1.1057 6.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 1.6080 7.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 1.2467 8.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -0.2366 8.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 -0.6712 10.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 -0.2178 10.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 -0.6613 12.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 -0.2340 12.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -5.7254 -3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -4.1500 -2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -5.6317 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -5.3157 -3.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -6.8318 -2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6245 -5.6712 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 -5.8174 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 -3.4582 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -3.6919 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -3.3647 -2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -1.9778 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9857 -4.4734 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -3.0194 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1675 -0.5385 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 -0.7984 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1749 -1.2640 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9151 -0.4945 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5846 -0.0687 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 0.7923 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -2.2023 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7066 -0.9618 3.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 0.1452 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 -1.5615 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7847 -0.7324 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -2.0137 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 -0.4003 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.1924 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 1.6726 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8293 1.6631 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1649 2.0687 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9455 1.9438 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0549 3.8431 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 4.3036 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 5.3294 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 3.7499 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 4.7450 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 3.1593 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 4.3536 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 5.9089 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 3.8049 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 4.5537 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 2.6689 -3.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 2.1235 -5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1753 3.2403 -5.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 -0.9921 -7.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 1.5575 -7.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 0.2146 -8.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -0.0397 -6.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -1.4137 -7.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 1.3775 -8.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 1.5994 -7.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 2.0484 -8.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7521 -0.5873 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -1.9434 -8.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 -0.9062 -7.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7151 -1.3809 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4526 -1.3217 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 -0.5358 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 -1.7343 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1696 1.2230 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -0.2478 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5215 0.7338 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -0.8434 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4604 1.9525 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 0.7339 3.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8939 -0.6687 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 0.8446 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.7472 2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 2.1686 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 1.1302 4.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.3052 4.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 2.5130 4.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 1.0030 4.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 1.5559 6.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 0.0100 6.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 2.7256 6.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8136 1.2370 6.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 1.7120 8.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 1.7330 9.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0805 -0.7935 8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 -0.6004 8.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -1.7759 10.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -0.3161 10.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 0.8549 10.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4482 -0.7074 10.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 -1.7367 12.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.1536 12.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 0.8087 12.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 -0.3833 13.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7233 -0.8794 12.3569 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 36107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END