HMDB0266464 RDKit 3D PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/24:1(15Z)) 142141 0 0 0 0 0 0 0 0999 V2000 20.6714 -0.4380 3.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9508 -0.5625 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5174 -0.5655 2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6459 0.2977 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0422 1.4232 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3022 1.3410 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6667 0.1270 -1.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8569 1.4169 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8993 1.1198 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 1.1917 -0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5092 0.9164 -1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0596 1.0151 -1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3064 1.9562 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3199 1.6751 -2.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7027 0.3870 -3.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2043 -0.8317 -2.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5785 -1.6584 -1.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 -1.4524 -1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3549 -2.5848 -1.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 -3.4106 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 -3.3749 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 -3.1907 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -1.9045 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 -0.9230 1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -1.7295 -0.7331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -0.6243 -1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 -0.2524 -0.8683 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0746 0.0781 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 0.5793 0.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 0.9500 2.3797 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4932 -0.2682 3.2488 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 2.0669 2.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 1.7344 2.5592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 -1.2954 -1.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -1.0109 -1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 0.1867 -2.3555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8043 -1.9693 -2.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -1.1519 -2.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -0.3943 -1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9576 -1.3215 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 -0.6591 0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 0.3188 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7754 -0.1866 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9098 0.8459 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4539 2.0259 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4608 3.0895 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0286 3.8107 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8690 3.1316 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1103 2.5240 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9950 1.8469 1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3563 0.5706 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9082 -0.3481 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8870 -0.9913 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9152 -1.9084 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8993 -1.4121 1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7228 -0.2473 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6707 0.1487 1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5706 -1.0041 2.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3622 -1.3826 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7601 -0.6095 2.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5286 0.5450 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3177 -1.2460 3.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3290 0.2316 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2686 -1.5437 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1305 -1.3825 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5787 0.2063 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0974 1.6107 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6107 2.3482 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6449 2.1539 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8715 -0.4796 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5184 1.7341 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2382 0.8047 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2057 1.5122 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7340 0.5929 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6149 0.0950 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 1.5900 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6023 3.0413 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 2.5730 -3.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 0.5010 -2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6773 0.2285 -4.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2572 -1.1574 -2.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 -2.5626 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 -1.3913 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 -0.5084 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -2.7437 -2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 -4.2229 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -2.7306 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -4.4299 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 -3.2704 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -3.9982 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.2741 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -0.6990 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.6785 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.7988 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7064 0.8637 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 1.5899 3.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 1.4194 3.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -2.5598 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 -2.7344 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.4093 -3.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7784 -1.8603 -3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 0.3644 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4408 0.1830 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -2.1326 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -1.8831 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 -1.4537 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.0891 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7693 0.6561 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 1.2627 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5264 -0.5244 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -1.0711 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2378 0.9964 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7759 0.3971 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5108 2.4830 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1342 1.7222 -1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0243 3.8165 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3555 2.6734 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6439 4.6762 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1811 4.3853 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4077 2.5278 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2697 4.0337 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6511 3.4504 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8563 1.9789 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4113 2.4342 2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0091 0.2559 2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3906 -1.2229 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0210 0.0585 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4184 -0.2344 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2642 -1.6537 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4033 -2.7952 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4936 -2.3011 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6071 -1.2905 2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6814 -2.2671 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2950 -0.5476 -0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1052 0.6188 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2799 1.0449 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0272 0.3195 2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0773 -1.8319 2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3211 -0.6090 2.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9020 -2.1815 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3492 -1.7754 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5123 -0.4449 0.2500 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 27 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 32 96 1 0 33 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 59142 1 0 M END