HMDB0264317 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(17)/18:4(6Z,9Z,12Z,15Z)) 116115 0 0 0 0 0 0 0 0999 V2000 14.6548 1.7383 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8526 1.0403 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2062 1.8623 2.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2555 1.5504 3.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 0.3094 3.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 -0.8782 2.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0867 -1.4670 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7092 -0.9948 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7051 -2.0099 1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9221 -2.5900 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8011 -2.4391 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6403 -1.5869 -1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2537 -0.5509 -2.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8371 -0.1353 -2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 1.2673 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 1.6487 -1.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2027 0.7760 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.2851 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 2.3906 -1.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.6664 -0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 1.1621 -1.1712 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5630 1.1687 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 1.6689 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 1.7412 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 1.3428 1.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0463 2.2619 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 2.0800 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 0.6044 1.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 0.5016 2.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4031 -0.1262 2.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0175 -0.9260 1.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3037 -1.2006 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6025 -0.8868 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8270 -0.1406 -1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5488 -0.8816 -2.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7608 -1.2963 -2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8441 -1.2038 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6760 -0.5791 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3039 0.5157 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2570 1.2787 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6147 1.4426 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4168 2.2434 -0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4339 0.2494 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8764 -0.6762 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8953 -1.8295 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 0.2529 -2.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4797 0.2872 -3.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -0.6872 -4.5678 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8487 0.1129 -5.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -1.0806 -4.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 -2.0822 -4.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1458 2.7271 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2298 1.1925 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 1.8994 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9832 1.1450 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6840 -0.0105 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6128 2.9202 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9053 2.3775 3.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6995 0.0399 4.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4237 0.4509 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8478 -1.3794 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4494 -2.3809 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 -0.0863 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7647 -0.6160 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6393 -2.2782 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 -3.3415 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -3.5068 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 -2.3325 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7407 -1.8173 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0202 0.0386 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0959 -0.8485 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 0.0062 -3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0635 1.4003 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 1.9588 -2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 2.7217 -1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 1.6712 -2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -0.2783 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 0.8095 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.1486 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 1.8910 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.1642 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 3.3540 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 1.8131 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.5198 1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 2.5777 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 0.2806 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 0.0040 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0547 1.0433 3.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0099 -0.0308 3.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0552 -0.5188 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2501 -1.9365 2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3805 -1.8296 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9399 -1.1630 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4036 0.2460 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4135 0.7856 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8905 -1.1033 -2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0182 -1.8575 -3.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7392 -0.7473 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2415 -2.2851 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0119 -1.0533 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0645 0.8649 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7885 2.3216 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3884 0.9769 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5613 2.0946 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5947 1.6560 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4557 0.5655 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6581 -0.3271 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7553 -0.1605 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9434 -1.1792 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8144 -1.4069 2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4410 -2.5780 2.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0144 -2.2390 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -0.7876 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 0.6007 -2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -1.6821 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -2.2030 -3.9774 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 6 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 50115 1 0 51116 1 0 M END