HMDB0113154 RDKit 3D PE-NMe(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -0.8475 -3.0373 -3.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 -3.6660 -2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -4.7779 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.9401 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 -3.9309 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -3.4545 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 -2.2077 1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3286 -1.0689 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 0.1051 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 0.3985 2.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -0.4691 3.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 -0.2654 4.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 0.6501 4.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 1.8664 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9013 1.8599 3.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 1.8966 2.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8338 1.9613 1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 3.2357 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 3.4903 -0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 2.4325 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 1.4896 -1.6878 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 2.3625 -2.4092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0912 1.2957 -3.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1541 1.8929 -4.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 2.6719 -4.9796 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 3.3834 -6.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 3.3336 -7.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 4.1812 -6.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 3.7269 -5.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 2.2941 -5.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 1.8351 -4.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 0.4190 -4.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.1550 -4.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 0.6209 -4.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 -0.0815 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 0.3968 -2.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 1.7668 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 2.5702 -1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1157 1.9146 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 1.7687 0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6439 1.0847 1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1601 0.8903 3.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 0.0517 3.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 -1.3297 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3287 0.4461 -3.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 -0.1244 -1.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 -1.0802 -1.5375 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.8592 -0.2819 -2.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4906 -2.4884 -2.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8716 -1.4485 0.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3851 -0.3902 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6063 -0.7284 2.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5403 -1.8250 2.4064 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6881 -2.0696 3.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 -3.7641 -3.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 -2.5778 -4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 -2.2059 -2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -4.0230 -3.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -2.8594 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -5.5825 -2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 -5.8293 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -4.5497 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -3.1150 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -4.2410 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -2.0494 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 -1.4268 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -0.6756 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 0.9153 0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 1.4099 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -0.4604 3.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 -1.5745 3.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 -1.1259 5.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6613 0.5668 5.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 2.7889 4.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 1.9401 3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 1.8185 4.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 1.8806 2.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 2.0193 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 1.0851 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 3.1013 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 4.1048 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 4.4309 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 3.7459 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 0.6688 -3.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 1.0812 -5.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 2.4668 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 5.2648 -6.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 4.1420 -7.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 4.4009 -5.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 3.8008 -4.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9977 1.6450 -5.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 2.2331 -6.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 2.4965 -4.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.9265 -3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -0.2676 -4.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 0.4242 -6.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.1900 -4.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 -0.1899 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 0.5512 -5.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 1.6628 -3.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -1.1251 -3.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 -0.2882 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 2.3458 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4559 1.7096 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 2.6132 -2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8744 3.5818 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9849 2.6198 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 0.9732 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 1.1158 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 2.7337 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8617 0.1171 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 1.7431 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9785 0.3996 3.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9239 1.8807 3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 -0.0915 4.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0467 0.5616 2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 -2.1206 3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1605 -1.4861 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4298 -1.4993 1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2444 1.0297 -3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 -0.3600 -3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8182 -3.0525 -2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8234 0.5545 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4006 -0.1840 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6367 -0.9563 2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0386 0.1313 2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -2.6663 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7192 -2.3397 4.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9524 -2.8289 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4142 -1.1388 4.3929 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 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 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 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 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 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 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 49122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 M END