HMDB0284384 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 130129 0 0 0 0 0 0 0 0999 V2000 -15.0967 1.7890 -1.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3898 0.5025 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2878 -0.5307 -1.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3335 -1.0127 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4007 -0.4806 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6990 -1.5340 1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4390 -1.7975 2.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3890 -1.0627 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6751 -2.1388 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5124 -2.2835 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0076 -1.4032 -1.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2536 -0.5777 -2.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9766 -0.3337 -2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9439 -0.9124 -1.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8848 -1.6671 -2.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6467 -1.2722 -2.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 -0.0934 -2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8445 0.9010 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6455 1.1573 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 0.4614 0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7571 1.5431 1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 0.9422 2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 -0.3179 2.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 1.6356 2.7451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 0.9436 3.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 0.2281 2.5662 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0065 -0.3662 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 0.6118 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.2624 -1.1559 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4937 0.1418 -2.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 -1.8943 -0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 0.0749 -1.6576 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6113 1.3183 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 1.5258 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 2.7603 -1.2257 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -0.7002 3.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -0.5884 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 0.4047 2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -1.4068 3.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9737 -0.8831 2.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 -1.0791 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 -0.4025 0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 -0.7025 -0.5686 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 0.4950 1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 1.2619 1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 2.1848 1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 2.6668 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 2.2569 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0912 1.2030 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5239 0.0458 -1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9808 -0.2416 -1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1973 -1.4328 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9139 -1.3741 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5418 -0.2010 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9911 -0.0956 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8724 -0.1677 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7966 -1.4670 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8429 -1.3158 -1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7556 2.0130 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3616 2.5972 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7319 1.5808 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0165 0.0964 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5245 0.7741 -0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0033 -0.9586 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0608 -1.7837 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7441 0.3223 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1164 -0.0171 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3583 -2.2165 2.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0935 -2.6231 2.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7508 -0.2398 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6172 -0.6083 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2464 -2.9157 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9911 -3.2410 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7967 -0.7030 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7638 -2.0416 -2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8809 0.0303 -3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6668 0.3688 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6641 -0.3205 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4902 -1.7853 -1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1085 -2.5772 -3.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 -1.9142 -3.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5355 0.5203 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -0.4137 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5911 1.5821 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2584 1.9200 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -0.3209 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 0.0426 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 2.2524 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 2.1348 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 0.3716 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 1.8403 3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 1.0938 2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -1.2984 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -0.5751 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 -2.3670 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 1.5274 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.0784 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 1.4549 -2.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 0.6299 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 3.1722 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 2.7731 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -2.4514 3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -1.3523 4.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -1.3225 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 0.2186 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 -2.0923 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -0.5306 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 0.3575 2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9783 2.3061 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0174 2.6193 2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 3.4283 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 2.2582 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 3.2580 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 1.3924 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8405 -0.7129 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2114 -0.5312 -2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5404 0.6272 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7413 -2.3586 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9970 -2.3193 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1089 -0.1004 1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1649 0.7688 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2572 0.8939 1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2883 -0.8441 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9616 0.0275 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6217 0.6710 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 -1.5851 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0825 -2.2838 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7898 -2.2343 -2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5322 -0.4041 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8194 -1.1846 -1.4389 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 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 44108 1 0 45109 1 0 46110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 58130 1 0 M END