HMDB0114289 RDKit 3D PE-NMe2(20:3(5Z,8Z,11Z)/22:1(13Z)) 149148 0 0 0 0 0 0 0 0999 V2000 4.9197 1.8236 -10.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 1.3964 -9.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 -0.0600 -10.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -0.9828 -9.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -0.8908 -8.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 -1.1776 -7.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 -1.0118 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 -1.2902 -4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 -0.4126 -4.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 -0.8350 -4.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 -2.2833 -4.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 -2.6093 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 -3.0546 -3.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 -3.3080 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 -4.6405 -5.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -5.7981 -4.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -6.1017 -3.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5644 -6.6389 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -7.0861 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 -6.0683 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 -4.9292 -0.9328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 -6.3063 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -5.4983 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 -4.3767 2.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8835 -3.2548 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -2.0811 2.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 -0.8722 1.1816 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7074 -0.7188 -0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -1.3340 0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7412 0.5844 1.9775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 1.3671 1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 2.6501 2.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 3.5115 1.6978 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8403 4.6920 2.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 3.9578 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 -4.6834 3.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2226 -4.4543 4.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 -3.9680 5.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 -4.7334 5.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -3.4098 6.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 -2.8224 4.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 -1.5318 5.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -0.2980 5.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 -0.0556 6.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 1.3393 6.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 1.3726 5.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 0.4286 5.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 0.2968 4.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 1.5789 4.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 1.2438 3.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 1.5817 2.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 2.3676 1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 3.6429 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 4.3067 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 5.5756 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 6.7598 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 7.4122 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 6.6760 2.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 6.2904 3.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 1.1330 -11.4443 H 0 0 0 0 0 0 0 0 0 0 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0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 M END