HMDB0268120 RDKit 3D PA(i-19:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 129128 0 0 0 0 0 0 0 0999 V2000 13.7600 -2.5217 4.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3019 -1.7788 3.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5531 -0.5242 3.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8535 -0.1792 2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7100 -0.9967 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 -1.2677 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0902 -2.0538 -0.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5366 0.0221 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0954 1.1477 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2416 2.3586 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7658 3.5117 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9143 4.7173 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 4.3644 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5354 4.4959 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7615 5.0151 -2.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5617 4.2500 -3.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1674 3.0519 -3.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 2.0518 -2.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 1.5959 -2.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 1.6258 -2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 2.1331 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7102 1.0725 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 0.7832 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.3873 -1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -0.1652 0.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -0.3577 -0.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8457 0.0523 0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.0764 0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 0.7193 -0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 1.5859 -1.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 0.6734 -1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3214 -0.6843 -1.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5989 -1.5994 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0591 -2.9681 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2389 -2.8806 -2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4781 -2.2428 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0532 -2.9519 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2428 -2.3257 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4823 -2.1295 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5539 -1.2702 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1573 0.1418 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8352 1.1378 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6774 0.8723 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3935 1.9383 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3242 1.7328 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8943 0.4441 3.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3417 0.2441 3.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0208 -0.7547 3.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -1.8266 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 -2.6175 0.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -4.2269 0.2204 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6331 -5.0207 1.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -4.4188 -1.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -4.9645 -0.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0245 -1.9094 5.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3122 -3.4758 4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6632 -2.6154 4.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2386 -2.4218 2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3827 -1.5304 3.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5764 0.1910 4.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3421 0.8088 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1008 -0.4012 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2765 -1.9567 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -1.8182 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 -2.7835 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4437 -0.0287 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1301 1.2313 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1834 2.2707 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8191 3.5959 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 5.3134 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 5.3825 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2741 3.9607 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5227 4.2175 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 5.9255 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7391 5.6005 -2.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 4.8771 -4.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 2.7245 -4.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 2.2301 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 1.1056 -2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 1.1791 -3.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 1.2415 -2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 2.3589 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 3.0675 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 0.1702 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 1.4552 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 0.2455 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.5258 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 1.1331 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8128 1.3669 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5823 1.1522 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 -1.1596 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2484 -0.4944 -2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 -1.7891 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 -1.1435 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 -3.3909 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2024 -3.5987 -0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5068 -3.9094 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -2.3045 -2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2051 -2.2187 -2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2189 -1.1805 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2751 -3.0102 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2280 -4.0296 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8844 -1.3819 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5232 -2.9936 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6874 -3.2099 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4270 -2.0642 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7336 -1.1976 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3008 -1.7649 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2936 0.5168 -2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0406 0.2830 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9469 1.1906 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3791 2.1461 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0085 -0.1207 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5913 0.9531 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4184 2.1363 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8162 2.8870 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8188 2.6110 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2581 1.7707 3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9491 0.6170 4.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0180 0.9057 3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5098 0.3475 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5849 -0.8238 3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9757 -0.5010 2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8527 -1.2922 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4704 -1.5701 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -2.1789 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -2.0249 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -4.7311 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -5.9419 -0.0744 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 46 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 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 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 53128 1 0 54129 1 0 M END