HMDB0264975 RDKit 3D PA(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,13E)+=O(15)) 122121 0 0 0 0 0 0 0 0999 V2000 -10.6480 2.7376 2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3573 2.1542 2.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6145 0.9312 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4840 1.3261 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7640 0.1240 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 0.5797 -2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9288 1.5903 -2.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6397 1.1474 -3.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9462 0.0377 -4.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3684 -1.1211 -4.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2513 -1.6545 -3.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6464 -2.8497 -2.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4955 -3.0675 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8814 -2.1199 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7017 -2.7418 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4839 -2.2913 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -1.1053 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 -1.5317 -2.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8826 -2.1265 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 -1.2249 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 -0.0001 -0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -1.6907 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 -0.8121 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 0.2581 0.1894 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5442 -0.4751 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 -1.3238 -1.5229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -2.1153 -2.3593 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5112 -2.2089 -1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 -1.2693 -3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7811 -3.7220 -2.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 1.0858 1.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 2.4509 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 3.0566 0.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 3.1232 2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 3.2315 1.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 1.8657 1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 1.0234 2.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 0.5375 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2238 0.7752 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9618 -0.4688 3.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9348 -0.8969 4.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 -0.2008 5.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7272 0.3457 5.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 0.4124 4.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6267 -0.1018 3.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6998 -0.0104 2.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6058 -0.5356 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5528 -1.0569 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4184 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 -0.8817 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4753 -0.0930 -1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9014 1.3652 -2.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 1.4921 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4668 1.9725 2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9320 3.6735 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4444 3.0076 3.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9355 2.9267 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6751 1.8622 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0845 0.1012 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6208 0.5887 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4440 1.7466 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9257 2.1035 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8105 -0.2702 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2623 -0.6847 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5895 0.9877 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9394 -0.3274 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7144 2.5312 -2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6146 1.9494 -3.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2779 2.0557 -4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9044 0.9179 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7906 0.2869 -5.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8031 -1.7920 -5.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4444 -1.9101 -4.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8839 -0.8113 -3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1230 -3.6451 -3.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8370 -4.0197 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6316 -2.0084 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 -1.1107 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8331 -3.6488 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 -2.8307 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -0.4238 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -0.5063 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -0.6238 -2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 -2.2615 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -3.1128 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -2.3762 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -0.3742 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -1.4161 1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 0.8613 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 0.2700 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 -1.0144 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 -0.8623 -4.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 -3.6694 -2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 2.6836 3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 4.1803 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 3.8198 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 3.8303 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 1.4236 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 2.0457 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 0.7775 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -0.0906 4.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 1.2942 4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 1.4961 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -1.0818 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -1.8957 3.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6524 0.5123 5.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 -1.0360 6.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9473 0.8033 6.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6580 0.8897 4.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -0.5447 2.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5781 0.4551 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2506 0.6041 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6021 -1.0882 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5065 -0.8653 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2027 -1.9423 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 -0.1365 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3534 -0.4413 -3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 1.9448 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0078 1.7330 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2623 2.4781 -3.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0402 1.3546 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2611 0.7253 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 M END