HMDB0296104 RDKit 3D DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/19:0/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 17.2339 2.5002 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 2.1799 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0370 3.0692 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4084 2.8529 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9502 1.4415 0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9126 1.0174 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4264 -0.3776 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -0.6941 1.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 0.0687 1.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4223 -0.0979 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2898 0.7436 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0487 0.6305 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 -0.8061 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2977 -1.3163 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 -2.7484 1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5848 -2.8934 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 -4.3479 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 -4.4786 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -3.7913 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 -4.3152 1.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -2.6719 0.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 -2.1247 1.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4609 -0.8205 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 0.0991 0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -2.1755 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -1.4176 -0.7765 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -0.0832 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 0.5966 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 0.6036 -2.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 1.9923 -1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8719 1.9295 -1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3686 3.3183 -1.0557 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4370 4.1071 -2.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 3.2925 -0.4890 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8732 2.5178 0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 2.9410 -1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9108 2.3205 -1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7853 2.0293 -2.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9580 1.4139 -2.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7913 1.1479 -3.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9303 0.5495 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4804 0.0929 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6641 -0.5173 -2.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2924 -1.0160 -0.8662 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.8977 -2.2914 -0.5527 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7909 -0.9841 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3912 -1.5061 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9743 -0.6768 1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6451 -1.2822 2.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1451 -1.2292 2.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2482 2.1261 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3072 3.5945 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8674 2.0176 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6686 2.3706 -1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9996 1.1093 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2846 2.8438 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3528 4.1448 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4681 3.4833 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0241 3.2285 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8398 0.7820 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 1.3892 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4227 1.0337 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1040 1.7696 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2384 -1.1122 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6743 -0.5744 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5115 -0.6963 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 -1.7815 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7695 1.1493 1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2551 -0.3409 2.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1347 -1.1685 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6112 0.2676 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6362 1.8130 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1092 0.5549 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 1.1963 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2955 0.9945 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.7730 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2944 -1.4764 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5397 -0.6727 2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -1.2458 2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6909 -3.3392 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 -3.1124 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -2.5340 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -2.3655 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -4.7801 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -4.9809 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -5.5694 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 -4.2045 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -2.8022 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 -0.3861 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 -0.9300 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -0.2858 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 -3.2548 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 -2.0040 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 0.0347 -2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 0.7734 -2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 2.5213 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 2.6232 -2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 1.3485 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 1.4752 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 3.8196 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7253 5.0116 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0306 4.3462 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 2.6615 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 3.1971 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1898 2.0372 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5005 2.3152 -3.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2649 1.1195 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4140 1.4787 -4.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4983 0.3859 -4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0020 0.2051 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2004 -0.6598 -3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9820 -0.3367 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1482 -2.6049 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1167 0.0773 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1397 -1.5712 -1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0176 -2.5572 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5061 -1.5831 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8988 -0.7394 1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2468 0.3885 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4098 -0.6889 3.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3247 -2.3181 2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4186 -2.1679 1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4105 -0.3452 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6678 -1.1951 3.5096 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 1 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 1 33101 1 0 34102 1 1 35103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 44112 1 1 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END