HMDB0268397 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)+=O(5)/i-22:0) 134133 0 0 0 0 0 0 0 0999 V2000 -19.1558 -0.9766 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8936 -1.5469 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4506 -0.6904 -1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2219 -1.1826 -2.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9747 -1.2408 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5955 0.0859 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4525 0.3587 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6194 -0.5209 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5165 -0.7772 2.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2961 -0.3652 2.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6728 0.4742 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2183 1.7398 2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9631 2.0535 2.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9496 1.2388 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 1.5944 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5902 0.8070 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8035 -0.2899 0.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 1.3737 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1971 0.4946 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 0.1568 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 -0.6913 -1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -1.2192 -2.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -0.9108 -0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 -1.6746 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 -1.6820 0.5075 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8406 -2.3744 1.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 -1.6222 1.8759 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -2.3147 3.0943 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0592 -3.0360 2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 -3.3897 4.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -1.1121 4.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 -0.4126 0.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 0.0064 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -0.8469 0.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 1.4023 1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 1.7640 1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 1.6369 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 2.4224 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 2.3741 -1.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 1.0132 -2.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 1.0788 -3.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.8163 -3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1433 1.3014 -2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3282 2.2776 -1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1433 2.3341 -3.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7566 0.9940 -3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 0.6162 -2.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3260 -0.7079 -2.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2507 -1.1251 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3300 -0.1275 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2310 -0.5676 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4776 -0.7414 1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4119 -1.1565 2.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5552 -1.3060 3.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1258 -2.4290 1.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7879 -0.4673 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6613 -1.7855 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8232 -0.2232 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1483 -1.5868 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1077 -2.5831 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3738 0.3931 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3012 -0.6893 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0516 -0.5901 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4180 -2.2256 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1454 -1.5330 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9963 -2.0527 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4188 0.9018 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2168 1.4463 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5033 -0.1125 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9984 -1.5565 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6970 -1.4287 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5596 -0.6651 3.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7898 -0.1567 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1807 0.7127 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9772 2.3946 2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6214 2.9981 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1513 0.3200 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4224 2.5220 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 1.4757 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2035 2.4195 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2656 -0.4885 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 0.8367 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1478 -0.4973 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 1.0393 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -2.7323 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 -1.3735 -1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 -2.3461 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2189 -3.3728 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.4872 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -2.9876 4.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0881 -0.2619 3.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 1.5549 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 2.0669 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 1.1617 2.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 2.8205 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 1.9192 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 0.5340 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 2.0733 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 3.5002 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 2.8721 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 2.9286 -2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5726 0.3665 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1949 0.4462 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 1.5807 -4.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 0.0435 -3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 1.7842 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1487 2.9031 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5242 0.2701 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 1.4038 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9603 2.0810 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 3.2882 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 2.8169 -4.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 3.0224 -2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 0.2041 -3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2944 1.0470 -4.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0226 0.4514 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4168 1.3990 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8506 -0.6867 -3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5285 -1.4740 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7337 -2.0808 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 -1.3179 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9788 -0.0471 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9565 0.8949 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6635 -1.5805 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1079 0.0908 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9315 0.1816 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7452 -1.5974 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1407 -0.3282 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1566 -1.1276 4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7211 -0.5835 3.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1031 -2.3162 3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5746 -2.9047 2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9152 -2.1650 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4351 -3.1024 1.4143 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 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 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 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 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 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 15 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 6 26 88 1 0 26 89 1 0 30 90 1 0 31 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M END