HMDB0287810 RDKit 3D PC(20:4(6E,8Z,11Z,14Z)+=O(5)/22:0) 151150 0 0 0 0 0 0 0 0999 V2000 -1.4886 -9.0718 4.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -9.1980 5.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -7.7765 6.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -6.8965 6.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -5.4997 6.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -4.9753 5.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 -3.8829 5.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 -3.0699 5.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 -3.0367 3.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -1.9083 3.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 -0.5496 3.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 0.2193 3.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5971 1.2635 2.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 1.7175 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6481 2.8018 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 3.2407 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 2.6293 0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6461 4.3990 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 4.7357 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 5.9297 -2.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 6.2929 -2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0804 7.3530 -3.1652 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 5.4906 -2.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 5.7090 -2.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2735 4.5971 -2.2727 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4177 3.4610 -3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 2.6112 -3.2049 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 1.3504 -4.3276 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8671 2.0824 -5.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 0.4194 -4.5578 O 0 0 0 0 0 1 0 0 0 0 0 0 4.8914 0.3939 -4.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -0.0621 -2.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2857 -0.9349 -2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 -1.4438 -1.2870 N 0 0 0 0 0 4 0 0 0 0 0 0 6.8524 -0.3946 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 -2.2534 -0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6754 -2.3272 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 4.3174 -0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 4.5335 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 5.0257 -0.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 4.2931 1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 4.0342 2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 2.8349 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 1.5403 1.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 0.3737 1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 0.2625 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -0.9736 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.1709 -1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -0.1542 -2.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 0.0391 -1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8771 1.1559 -2.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 1.5071 -2.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1936 0.3397 -2.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6598 0.7090 -2.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 -0.3810 -3.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5718 -1.6906 -2.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9176 -1.8599 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -1.2145 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3803 -1.3375 1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4392 -2.6621 2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4973 -3.5708 1.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -9.0559 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -9.9811 3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -8.1360 3.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -9.8275 5.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 -9.6188 6.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 -7.7796 7.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1846 -7.3736 5.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 -6.7650 5.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -7.2623 6.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 -5.7240 7.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -4.9291 6.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -5.4767 5.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 -3.5243 4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -2.0841 5.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -3.5206 5.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 -3.9893 3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0508 -1.9561 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 -0.0979 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 -0.5786 4.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 -0.1293 4.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5271 1.8166 2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 1.2653 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 3.2735 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 5.2631 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 4.1851 -1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 3.8593 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4409 4.9651 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 5.7502 -2.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 6.7698 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 5.8583 -3.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7099 6.6903 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3472 5.1026 -2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 2.8685 -2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 3.8959 -4.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.7279 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 -0.7289 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1507 -0.2893 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2363 -1.7935 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 0.1607 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6151 0.2717 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -0.9129 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5407 -1.7013 -0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -3.1248 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 -2.6932 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -1.9867 -2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1685 -2.3065 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 -3.3704 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 5.2472 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 3.5414 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 4.0022 3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 4.9317 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 2.8425 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.8617 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 1.5135 3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.4714 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 -0.5940 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 0.3641 2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 0.1154 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6337 1.1126 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 -1.8404 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 -0.9054 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 -1.2956 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 -2.1579 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0325 -0.4958 -3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 0.8112 -2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 0.2835 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 -0.9094 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 0.9460 -3.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 2.0507 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 2.3426 -3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 1.8764 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 0.0087 -3.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -0.4721 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7721 1.4822 -3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 1.3291 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6401 0.0394 -3.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3234 -0.5765 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -2.1133 -2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1874 -2.4203 -3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8768 -2.9750 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9675 -1.4960 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0175 -1.7461 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7655 -0.1626 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4078 -0.8362 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 -0.6614 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4687 -2.5631 3.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 -3.1958 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2847 -3.0090 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0234 -4.0299 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0801 -4.3829 1.0051 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 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 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 M CHG 2 30 -1 34 1 M END