HMDB0285045 RDKit 3D PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/DiMe(9,3)) 129129 0 0 0 0 0 0 0 0999 V2000 16.6252 4.9167 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0191 3.5463 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5524 3.6591 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7501 2.9976 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2541 2.0315 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6431 0.6542 0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0529 0.3304 -0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1567 0.8391 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3160 -0.1088 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 0.1012 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 -0.8256 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5166 -0.6204 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3082 0.7455 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 1.7707 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1336 1.9037 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 0.7513 -1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 0.0623 -2.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7611 0.3790 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.7312 -1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.6224 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 0.5915 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 1.1182 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.1447 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 0.5523 1.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -1.1203 1.8676 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 -2.0950 2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -2.5718 1.7229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8349 -3.2458 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 -3.7847 -0.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3388 -4.5357 -1.6747 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7535 -3.7100 -2.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -4.7106 -1.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -6.0143 -1.8246 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 -6.3050 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -7.6380 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -8.6903 -1.1789 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -1.5409 1.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -1.5676 1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -2.5513 2.6001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4846 -0.4645 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2733 -0.7866 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 -2.0218 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -1.9861 1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1951 -1.0328 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 -1.0605 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9927 -0.7086 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5981 0.7366 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7452 1.6033 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7494 2.2825 0.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8434 2.9476 0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2686 3.8548 1.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1017 5.2619 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6381 5.4934 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6319 2.6782 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9832 3.2134 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9351 1.8175 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3562 1.2332 -2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2555 5.3331 0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7420 4.8330 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3883 5.6142 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3462 3.3365 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4643 2.8405 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0811 4.3740 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6649 3.1929 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8276 2.3167 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3198 1.9061 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9532 -0.0716 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9930 0.5895 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7136 1.7789 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6838 -1.0642 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 1.0567 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 -1.7835 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0805 -0.9851 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -1.2857 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 0.9446 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7278 2.7304 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0824 2.2788 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 2.8238 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 0.3834 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -0.8046 -3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 1.3422 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 0.4915 -3.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.6747 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -1.5503 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 1.3719 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 0.2585 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 1.3476 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 2.0335 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -1.7178 3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -2.9428 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -3.3933 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.5754 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 -4.1117 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 -5.2799 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -6.3075 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 -5.5410 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -7.5198 -1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2003 -7.9277 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 -8.5064 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -8.8212 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -0.2036 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 0.4326 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7523 0.0766 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 -1.0905 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5127 -2.4078 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 -2.8418 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5699 -1.8985 2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5352 -3.0314 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7513 -1.2012 2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8221 0.0375 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6197 -2.1542 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1985 -0.5484 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9240 -0.9349 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2311 -1.3410 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4036 0.8633 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7461 0.9734 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3401 3.6996 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6503 3.7119 2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6765 5.3535 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4782 6.0393 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9513 5.0976 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4968 6.5817 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4065 4.9898 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5761 2.4508 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9615 4.1195 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5338 3.3557 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0976 1.9309 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8666 0.2691 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5133 1.1894 -3.2498 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 48 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 1 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 55124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 M END