HMDB0285685 RDKit 3D PC(20:3(5Z,8Z,11Z)-O(14R,15S)/14:1(9Z)) 127127 0 0 0 0 0 0 0 0999 V2000 -2.0999 8.5100 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 7.2464 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 7.5071 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 6.1637 1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 5.2489 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 4.7756 2.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 5.0670 3.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 3.8036 4.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 4.2215 5.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 3.1133 6.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 2.4443 6.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 1.3165 7.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6412 6.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 0.0288 5.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 -0.0236 4.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 -0.5617 4.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -1.1556 3.2399 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4371 -2.5918 3.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 -3.1475 1.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4129 -2.9735 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -2.3034 1.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -3.5730 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6864 -3.4157 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -4.0242 -2.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3467 -5.4235 -2.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 -5.9972 -3.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -5.5316 -4.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 -4.2050 -4.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 -3.3126 -4.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -3.5177 -3.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 -3.2906 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -4.1467 -5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 -5.4952 -4.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 -5.7030 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 -5.5122 -4.7494 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0941 -4.7016 -3.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3198 -4.9293 -2.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2493 -3.7472 -2.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -2.5479 -2.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4824 -1.3209 -2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7688 -1.5101 -1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -0.2780 2.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 0.9636 2.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.8959 0.9530 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3841 3.3392 1.4458 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 1.4189 0.5216 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3094 1.5789 -0.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 2.0287 -1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 1.2727 -2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 1.4942 -1.3001 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.1076 2.3584 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 1.9610 -2.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 0.1695 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 9.2099 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 8.1936 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 8.9685 -0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 6.7296 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6101 6.5893 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 8.1380 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 8.0139 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3602 6.3777 2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 5.6354 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 4.9594 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 4.0935 2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 5.7926 4.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7862 5.4549 4.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 3.3498 4.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2515 3.0387 4.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 4.9687 5.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 4.7521 6.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 2.3857 7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 3.5990 7.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 2.1104 5.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 3.1807 6.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 0.5757 7.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 1.7539 8.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 1.4412 6.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -0.0719 7.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -1.0942 3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 -3.1702 3.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.8707 3.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -3.1566 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 -4.6465 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -2.3773 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -4.0054 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 -3.9800 -2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -3.3716 -3.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9617 -6.0365 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -7.1036 -2.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 -5.8631 -3.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -6.2342 -4.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4027 -3.8779 -5.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 -2.2895 -4.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 -4.3793 -3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -2.6314 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 -2.2934 -5.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 -3.9354 -5.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -6.2055 -5.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0573 -5.8354 -3.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 -6.7284 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 -3.6512 -3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 -5.8324 -3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -5.1736 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1438 -3.9717 -2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6212 -3.4974 -3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 -2.3813 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -2.7004 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 -0.4361 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 -1.0477 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6887 -2.3710 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0481 -0.5925 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6009 -1.6800 -2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7293 -0.0145 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -0.5723 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 3.1090 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 1.6790 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.2006 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 1.5474 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 2.7144 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 1.8063 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 3.2711 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 3.0723 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 1.6006 -3.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3437 1.5147 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 0.2458 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -0.5740 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.2125 -0.0653 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 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 17 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 36 34 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 6 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 51119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M CHG 2 46 -1 50 1 M END