HMDB0112609 RDKit 3D PS(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -3.9452 -0.3495 -7.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -0.6398 -8.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6408 -0.5529 -8.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -1.4589 -7.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -1.4895 -6.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 -0.2169 -5.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 0.4959 -4.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 0.0193 -4.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -0.2073 -2.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2053 0.2806 -2.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2669 1.1526 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 2.3518 -1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4001 3.5834 -2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1037 4.0673 -3.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1261 5.1719 -3.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 5.1237 -2.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 3.9957 -3.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 4.0656 -2.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 4.0735 -1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 2.8887 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 1.9326 -1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5453 2.7619 0.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.5449 1.4269 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7414 1.8734 2.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 0.8290 3.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 0.0295 2.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4884 0.3186 1.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -1.0581 3.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 -1.5438 4.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -2.2859 5.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 -3.5337 4.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 -3.9595 3.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -3.1832 3.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -2.7837 2.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -3.2310 1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 -4.1178 1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -4.8476 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -4.7618 4.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 -3.8705 3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -3.0498 5.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -2.2416 5.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 -1.5546 6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3104 -0.6917 7.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -0.0745 8.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -1.1070 9.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 -1.9737 10.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 1.0071 1.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 0.8551 0.7005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 0.3942 0.9860 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6241 1.6482 1.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -0.6825 2.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -0.2166 -0.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -0.0740 -1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.6282 -2.7837 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5238 -2.0443 -2.6321 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4361 0.0983 -3.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5629 -0.4709 -3.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 1.4602 -3.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 -1.2150 -6.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 0.0536 -7.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 0.5206 -7.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3608 0.1234 -9.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3549 -1.6613 -9.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 0.5435 -8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 -0.5700 -9.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -1.3320 -7.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 -2.5672 -7.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 -1.9112 -5.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -2.2998 -5.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.2531 -5.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 1.4294 -4.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 -0.9587 -4.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8037 0.7314 -4.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -0.8683 -2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -0.0218 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 1.3919 -3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2851 0.6025 -2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6934 2.1938 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5896 4.3816 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8831 3.2433 -4.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 4.4882 -3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 5.5071 -4.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 6.0836 -3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 6.0722 -3.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 5.1594 -1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 3.9108 -4.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 3.0121 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 4.9716 -3.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 3.2220 -3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 4.1723 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 4.9509 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 0.8470 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 2.6047 2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 2.4552 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 -1.8866 2.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1897 -0.7490 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1034 -0.6726 5.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8034 -2.2298 4.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.5842 6.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -1.5887 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -4.2177 4.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -4.9386 3.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 -2.1769 3.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -3.5525 4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -2.0895 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -2.8327 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -3.6651 1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 -4.9479 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -5.6145 3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -5.3921 4.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2037 -4.5394 4.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 -3.3050 3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1832 -2.3336 5.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -3.6995 6.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 -1.3766 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -2.7715 5.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -0.9546 6.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 -2.3797 7.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 -1.2983 7.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 0.1154 6.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.6959 9.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.4781 8.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -0.5506 10.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -1.6753 9.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -2.1797 11.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 -2.9481 9.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9997 -1.3725 9.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3729 0.0432 2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 1.7622 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 -0.8649 2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 0.9967 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -0.6413 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.5374 -3.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -2.4259 -1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -2.1201 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 2.1410 -2.6549 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 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 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 2 0 56 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 6 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 51130 1 0 53131 1 0 53132 1 0 54133 1 6 55134 1 0 55135 1 0 58136 1 0 M END