HMDB0296648 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/22:0/0:0) 131131 0 0 0 0 0 0 0 0999 V2000 15.5846 1.6850 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2780 0.4029 -2.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5001 -0.8008 -2.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7572 -1.5373 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7383 -0.9234 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 -0.0885 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 -0.4154 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 -1.5491 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0726 -0.9915 2.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8363 -1.2059 2.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3805 -1.9877 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 -1.1321 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2864 -0.0568 -0.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3844 0.2914 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1207 0.9944 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9553 0.2640 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 0.8764 1.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 2.2374 2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 3.1961 1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 2.8208 2.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2382 1.6176 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 0.9014 2.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 1.2858 0.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 0.2301 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.2821 -0.9106 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6983 1.6083 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 2.6754 -0.8537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.2389 0.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -0.6580 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -1.3998 -0.8023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -0.6464 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 -1.3084 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -0.4808 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2473 0.9048 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 1.1305 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5438 1.0412 1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3101 -0.1220 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4597 -0.1726 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1597 -1.4065 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5458 -1.4725 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2405 -2.6981 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3440 -2.6647 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0941 -1.4423 -2.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4741 -1.4595 -2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2093 -0.2286 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6150 -0.1344 -2.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5810 -0.0739 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9412 0.0377 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7181 1.2476 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0544 1.1695 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8100 1.1589 1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4908 1.6186 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0428 2.2240 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7120 2.4146 -3.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0188 0.1970 -1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9590 0.5832 -3.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7861 -0.6135 -3.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2242 -1.5819 -3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 -2.4822 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5607 -2.0555 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9761 -1.6823 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0479 -0.2632 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8790 0.7779 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4486 0.2639 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8873 -2.2871 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8127 -2.1589 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2355 -0.3820 3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -0.7715 3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -2.6184 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 -2.6986 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8096 -1.6288 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8378 0.6717 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 2.0661 0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9997 0.9050 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7229 -0.7636 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 0.2835 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 2.1684 3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2628 2.7130 2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2614 3.4034 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 4.1985 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6815 2.7929 3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 3.6701 1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 -0.7126 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 0.1467 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 -0.4867 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 1.6723 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 1.5672 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 3.0707 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 -1.3043 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 0.3936 1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 -2.2832 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 -1.5246 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 -0.3796 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 -1.0782 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 1.4468 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2699 1.4657 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 2.2233 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6716 0.5850 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8094 1.1180 2.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0651 2.0162 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 -0.1231 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8727 -1.0786 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5709 0.0440 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1366 0.7415 -0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5542 -2.2803 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1571 -1.3261 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1536 -0.5865 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4483 -1.5600 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5624 -3.5591 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2145 -2.7988 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8347 -3.6008 -2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3554 -2.6609 -2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -0.5459 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1489 -1.4305 -3.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9725 -2.3967 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3610 -1.3721 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6253 0.6609 -2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2695 -0.2838 -3.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0719 0.7617 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1665 -1.0394 -2.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8725 0.6835 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1776 -1.0698 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5650 -0.8542 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7459 0.1411 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2575 2.2070 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9962 1.2593 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5964 0.2393 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6994 2.0319 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8168 1.3245 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4504 0.1943 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1894 2.0317 2.2305 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 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 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 14 12 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 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 51131 1 0 M END