HMDB0113615 RDKit 3D PE-NMe(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -16.5089 -3.2443 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3951 -3.3714 1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1362 -3.9777 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2036 -3.4247 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4506 -3.0481 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2765 -1.8944 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7428 -0.8583 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3921 -0.7318 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7360 0.4607 -1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6622 0.4297 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9467 -0.8337 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9409 -0.9406 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8836 -0.9914 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5062 -0.9530 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 0.2537 1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3411 1.1812 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4196 1.1124 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 1.1295 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8953 1.0053 -2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 0.9930 -3.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7091 -0.1231 -3.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -0.2310 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -1.0971 -0.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 0.6614 -1.3338 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 0.6553 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 1.7119 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 3.0605 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 4.0157 -0.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 5.5505 -0.8015 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4366 6.3737 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 5.4306 -1.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 6.2792 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 6.0087 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 6.6998 2.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 6.1687 3.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 4.7967 3.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 1.2565 -1.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 0.9401 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 1.1157 0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.4538 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 -0.0380 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 -1.1913 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 -1.1131 1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 -0.2674 1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 1.1129 1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 1.5222 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4574 0.6473 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3378 1.2491 2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5513 1.6424 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2107 1.5182 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4019 0.6568 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6229 -0.4856 0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6344 -1.0751 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -1.2553 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3533 -2.4511 -2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8630 -3.7139 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8918 -4.7679 -1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0412 -4.5641 -0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0018 -3.4841 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1022 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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 46121 1 0 47122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M END