HMDB0113089 RDKit 3D PE-NMe(18:0/18:2(9Z,12Z)) 132131 0 0 0 0 0 0 0 0999 V2000 14.3877 4.8558 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9488 4.1431 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4280 2.7469 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2433 2.7576 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 1.3148 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 0.6662 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 0.2153 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0636 0.2988 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 -1.0522 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.4953 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 -0.6736 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -0.6073 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 -0.0027 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9526 1.3813 -1.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 2.5081 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 2.8605 -1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 1.9517 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 1.6841 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 2.0281 0.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 1.0078 -0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 0.6885 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8445 1.6194 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 1.6454 0.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 0.7526 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 -0.3352 0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 1.0877 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 0.3545 -2.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -1.1048 -2.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 -1.8099 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4714 -1.4884 -1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6874 -2.4587 -1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7131 -1.9862 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9553 -2.7935 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0018 -2.5459 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5634 -1.1906 0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6936 -0.1796 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3400 1.2092 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5751 1.1889 2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2240 2.4961 2.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8003 3.3001 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9783 3.8079 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8532 4.7140 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -0.7373 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 -1.4924 1.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -3.1078 1.7718 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1811 -3.5821 0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 -3.1970 3.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -4.1306 1.7736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -4.9976 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 -5.9229 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2384 -6.7986 -0.4534 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 -7.6843 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2574 5.5273 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 5.5113 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6795 4.1474 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2394 4.7165 2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8823 4.0000 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0957 2.3556 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2474 2.1336 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5281 3.2040 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4358 3.3733 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 1.3842 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6722 0.7713 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 0.5639 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9806 -0.2604 2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2914 0.9553 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2834 0.8247 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 -1.7230 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1341 -2.5375 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -1.1856 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 0.2951 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 -0.2459 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 -1.7040 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7082 -0.2890 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 -0.6350 -1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 1.4418 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1571 1.6089 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 2.4792 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 3.4338 -0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 3.2426 -2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 3.8514 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 2.5476 -2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 1.0330 -2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 1.0437 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 1.4341 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 2.6905 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 0.8778 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 2.2065 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 0.7326 -3.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 0.6712 -2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 -1.4900 -1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -1.5529 -3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 -2.9369 -2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8466 -1.7401 -3.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9538 -0.4885 -1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 -1.4660 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -2.3884 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2904 -3.4566 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2529 -2.0128 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0038 -0.9485 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6059 -3.8820 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3811 -2.8053 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6201 -2.9416 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8672 -3.2705 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8855 -0.8136 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5457 -1.3185 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5891 -0.4886 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6815 -0.1350 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6156 1.9036 1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4425 1.5351 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3237 0.8130 3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3490 0.4798 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4460 3.2006 2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9804 2.4394 3.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2547 4.2453 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7693 2.8222 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6133 3.0250 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1004 4.3776 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6317 4.0620 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1946 5.1161 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2819 5.5511 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -0.9472 2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 -1.2443 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -3.7482 3.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 -5.5289 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -4.3446 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -6.6185 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -5.3178 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 -6.2785 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 -8.7555 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -7.6010 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 -7.4383 -1.0779 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 47124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END