HMDB0113612 RDKit 3D PE-NMe(22:4(7Z,10Z,13Z,16Z)/22:0) 152151 0 0 0 0 0 0 0 0999 V2000 -0.8691 -7.8969 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -8.6353 2.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 -9.5628 2.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -9.1415 2.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 -8.6214 1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 -7.4340 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -7.2525 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -8.3337 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -8.6837 -1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 -8.5836 -3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -8.1172 -4.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -6.8924 -4.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 -5.9775 -4.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -5.8858 -4.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -4.8084 -3.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -3.8260 -2.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 -3.5366 -3.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -2.1814 -3.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -1.7433 -5.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 -1.7082 -5.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 -1.1484 -6.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 0.2464 -6.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 0.8384 -7.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 1.0041 -5.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 2.3545 -6.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 2.8132 -5.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 4.2988 -5.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 4.7490 -4.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 6.3968 -4.5979 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4338 7.2287 -3.8128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 6.7888 -6.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 6.6912 -4.0904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 6.4986 -2.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 6.7935 -2.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 6.6131 -1.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2647 7.5840 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4356 2.5964 -3.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.7827 -2.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 1.2600 -3.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.4519 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 2.1699 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 1.7613 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2387 2.0960 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 1.6707 2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 0.1937 2.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 -0.3354 4.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 -1.7929 4.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 -2.4267 3.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 -2.2662 3.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.9680 3.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -0.3319 2.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9411 0.9948 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 2.0083 3.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 3.3584 3.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3363 3.2186 4.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2146 4.3897 4.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8844 5.4778 5.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 6.2481 5.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6503 7.3778 6.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6829 6.7619 7.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 -7.8289 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 -6.8256 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -8.4841 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -9.1970 2.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -7.8816 3.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -10.4852 2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1788 -10.0448 3.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -8.3623 3.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 -9.9635 3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 -9.4918 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -8.4198 2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 -6.5277 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -6.2869 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2141 -8.0204 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -9.2908 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -9.0634 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 -8.9415 -3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -8.9443 -4.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -8.1995 -3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -6.7145 -5.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -5.1493 -5.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 -5.7629 -5.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 -6.8551 -3.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -4.8337 -2.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 -3.0886 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 -4.2473 -3.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 -3.4328 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -2.0173 -3.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -1.4044 -2.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 -2.4200 -5.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -0.7562 -5.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 -1.0948 -4.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5537 -2.7247 -4.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 -1.7866 -7.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 -1.2307 -6.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 3.0225 -6.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 2.4430 -7.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 2.2521 -5.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 4.4440 -6.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 4.8809 -5.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 7.1244 -6.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 7.1621 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 5.4566 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9047 7.8510 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 6.1700 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9565 6.7578 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 7.1948 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 8.5560 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 7.7175 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 0.3671 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 1.7659 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 1.8528 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 3.2555 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 2.3828 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1283 0.6993 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 1.5361 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 3.1636 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 1.9638 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0709 2.2757 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -0.2398 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -0.2429 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 -0.1734 4.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 0.2940 4.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1318 -2.2143 5.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1156 -2.2461 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 -3.5538 3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 -2.2303 2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -2.8194 4.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 -2.9517 3.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -0.2317 4.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0782 -1.2114 4.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -0.9914 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 -0.2740 2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 1.3345 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9808 0.8137 2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 1.7223 4.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 2.2914 2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 3.7114 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3724 4.0907 3.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9382 2.4972 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 2.6774 5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2717 4.0400 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4606 4.8587 3.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7351 6.2249 5.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8501 5.0635 6.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 6.7373 4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7214 5.6785 5.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 8.0312 5.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7055 7.9311 5.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 6.7422 7.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0531 7.3292 8.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 5.7322 7.3961 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 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 26 37 1 0 37 38 1 0 38 39 2 0 38 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 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 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 31101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 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 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M END