HMDB0114285 RDKit 3D PE-NMe2(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -3.0903 -5.2194 2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -4.6184 3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -5.6649 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -6.2111 3.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -5.1764 2.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -5.7635 1.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5888 -5.4271 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 -4.4370 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 -3.2120 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -2.7137 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -3.3434 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 -3.7698 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 -3.7443 -1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 -3.2617 -2.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 -4.4182 -3.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 -4.9197 -4.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -4.5305 -4.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 -5.7433 -3.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 -5.7757 -3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -4.8882 -3.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4538 -5.3359 -3.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -3.6020 -2.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 -2.9584 -2.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 -1.6866 -3.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -0.7078 -2.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -0.6516 -3.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 -1.6259 -3.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 0.5636 -2.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 0.5447 -3.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 1.8300 -2.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9218 2.0255 -3.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 2.1171 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 2.0357 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1835 3.2993 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4304 4.0322 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 3.6583 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 3.5237 2.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 4.1828 3.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 5.1668 2.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 6.5618 3.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 7.5549 2.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 7.7549 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 8.7381 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 9.0253 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 9.6243 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 8.7924 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 -2.5332 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4952 -1.9181 -0.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5326 -1.3179 0.9276 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2025 -1.5346 1.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 -2.0470 1.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 0.3624 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 0.6625 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 2.1597 1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 2.9617 1.9462 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 2.8515 3.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 4.3332 1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 -6.2964 2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 -5.0603 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -4.6931 2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 -4.2005 4.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -3.7461 3.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -6.5352 4.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 -5.2628 5.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -6.9726 3.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 -6.6956 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -4.8609 3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 -4.2538 2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -6.5527 2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 -5.9630 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -4.9746 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -4.2439 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.5145 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -1.7037 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1711 -2.5043 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4165 -4.0654 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 -4.2219 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 -4.1559 -2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -2.4429 -3.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 -2.8840 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 -4.9031 -4.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 -5.8050 -5.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 -3.7391 -3.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4777 -4.1832 -5.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 -5.9045 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 -6.6715 -4.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -6.8404 -3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 -6.0234 -4.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -3.5673 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -1.9180 -4.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5611 -1.2712 -2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 0.6346 -1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.5075 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -0.2981 -2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 0.5759 -4.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 1.8495 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 2.6703 -3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 2.0985 -4.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 2.2703 -2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5657 1.2715 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 1.6176 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 3.6233 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.9552 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 2.6982 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 4.5051 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7251 2.7923 2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 3.9658 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 5.1507 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 4.8581 3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 6.9526 2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 6.4914 4.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 7.2283 3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 8.5512 3.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 8.1668 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 6.8003 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 8.4136 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 9.6985 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 8.0595 -1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 9.7219 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 10.5690 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 10.0322 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 8.8945 -2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 7.7267 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 9.1413 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1635 -3.4116 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -1.7452 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 -1.6617 2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8633 0.3977 2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8697 0.1325 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 2.3739 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1645 2.4310 2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 2.0169 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6172 3.8354 3.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 2.6040 3.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3856 4.6840 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 4.5140 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 4.9602 2.2061 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 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 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M END