HMDB0113682 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)) 130129 0 0 0 0 0 0 0 0999 V2000 -1.6177 -2.5201 8.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -2.5147 7.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -3.6170 6.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0597 -3.5088 5.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0972 -2.1940 4.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 -2.3903 3.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 -2.2901 2.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 -1.9630 1.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -0.7651 1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0912 -0.8117 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -2.0333 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -2.5027 -1.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -2.6736 -3.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8104 -2.4307 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -3.7505 -3.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -4.0074 -4.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 -3.1977 -5.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 -1.8741 -6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -0.7999 -6.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -0.7586 -5.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 0.0634 -4.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 0.3305 -3.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5658 0.3683 -4.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4332 0.5672 -2.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 0.8629 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 0.8101 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.6035 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -1.0484 0.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -2.7195 0.2877 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1748 -3.3732 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -3.0196 -1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -3.4648 1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 -4.7761 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9564 -5.5302 2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -5.6528 1.5054 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 -6.3755 2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 1.7133 -0.4866 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 2.9191 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 3.3309 1.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 3.7527 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 3.5750 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 4.5030 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6883 4.4623 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 3.1273 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 2.8170 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 3.7350 -1.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 4.2081 -1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3106 3.9819 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 3.1706 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5171 3.6045 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7929 4.7864 1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8886 5.9290 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 6.6130 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1705 7.7649 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1191 8.7605 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 9.9017 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 -1.7181 9.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 -3.5256 9.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6298 -2.3086 8.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7075 -1.5130 7.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6565 -2.7494 8.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -4.6172 7.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -4.4236 4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -1.4518 5.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 -1.8536 4.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 -2.6333 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 -2.4575 1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -2.8474 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -1.5858 2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 0.1328 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 0.0540 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 -1.6128 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -2.8433 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 -2.6981 -1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 -3.0161 -3.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 -1.6776 -4.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -2.1166 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2591 -4.5811 -2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -5.0836 -4.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 -3.8552 -6.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 -3.2816 -5.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 -1.7160 -6.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 0.1973 -6.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -0.1735 -6.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -1.6997 -5.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 1.0459 -4.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 -0.3912 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 1.8643 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1113 0.0582 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 1.0722 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 -1.2535 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.9018 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 -3.9790 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 -5.3558 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 -4.6704 2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 -6.5692 2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 -5.0736 3.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 -4.7703 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -5.9152 1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -7.4252 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -6.3601 3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 4.8492 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9367 3.5463 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 2.5352 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 3.9055 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 4.3005 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 5.5323 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 5.2956 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 4.6590 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 2.3003 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 1.7820 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 3.2602 -2.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 4.6759 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 4.9057 -2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2858 4.4868 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1035 2.3638 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4141 2.4185 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4693 2.8082 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9671 4.9399 2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3153 6.0083 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 6.7577 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0678 5.9481 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5154 7.0667 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1483 8.3004 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0207 7.4153 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 9.2083 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0949 8.3506 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0020 10.1847 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 10.7447 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 9.6059 -1.4743 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 2 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 56130 1 0 M END