HMDB0262652 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(19S)/10:0) 100 99 0 0 0 0 0 0 0 0999 V2000 8.3711 -4.5270 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5192 -4.5826 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6051 -3.3412 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -3.1683 1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3843 -1.9595 2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 -0.6577 1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4279 -0.3501 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 0.9800 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7147 1.4347 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 1.6060 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 1.3486 1.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 2.0769 -0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 2.2595 -0.4686 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0268 1.4979 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.6405 -0.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 1.1846 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 0.6360 1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 1.3571 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 0.1892 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 0.0502 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -1.0946 -1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 -1.1647 -2.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -0.1277 -3.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 1.2091 -3.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 2.2785 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8363 2.4101 -2.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7122 3.0028 -0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 2.5353 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 1.3251 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4045 0.3717 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1175 -0.8757 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3237 -1.5313 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -2.6670 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 -1.9761 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7356 -2.9287 1.0249 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1250 -3.6652 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4063 -3.8333 2.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 3.7504 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 4.4373 0.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 6.0706 0.4478 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2125 6.4360 -0.6591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 6.3924 1.9309 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 6.9979 0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5765 -5.2798 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -4.7386 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9251 -3.4947 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3551 -5.4612 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 -4.6688 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -2.4554 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4847 -3.4458 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2501 -4.0592 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4406 -3.1926 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -1.8751 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2801 -2.0642 3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4925 -0.6791 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6414 0.1455 2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 -0.3696 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -1.1147 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 0.9965 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7627 1.7677 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7011 0.7559 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0212 2.4287 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9188 1.9359 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 0.4098 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 1.8666 -2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 2.3175 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 1.4348 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.7436 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.3514 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -0.1858 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 1.0091 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 -2.0580 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -2.1938 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -0.5098 -4.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6189 -0.1320 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 1.3449 -3.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 3.2451 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4153 1.4782 -2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3885 3.1950 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 3.9690 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 3.1348 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9519 1.6676 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3228 0.8670 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 0.7527 2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6921 -1.5167 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6632 -0.9496 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -2.0906 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9735 -3.4129 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5064 -3.1100 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9214 -1.2765 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3322 -1.3959 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6051 -2.3231 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7233 -4.6951 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8234 -3.0669 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2335 -3.7530 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2370 -4.0152 2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 3.8747 -0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 4.1931 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6655 5.7235 2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 6.4345 0.0914 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 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 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 13 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 13 63 1 1 14 64 1 0 14 65 1 0 18 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 22 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 1 36 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 42 99 1 0 43100 1 0 M END