HMDB0294756 RDKit 3D DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/12:0) 101100 0 0 0 0 0 0 0 0999 V2000 15.3137 3.7504 2.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2744 2.5512 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2273 1.5856 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2122 1.2300 0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9570 1.7310 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 0.5168 -1.5203 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2449 -0.0937 -1.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9784 -0.4253 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7022 -0.2768 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7672 -1.2226 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4788 -1.1415 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5711 -2.1160 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2747 -2.1200 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -1.1292 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3095 -1.2080 -1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -2.2713 -0.9832 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9064 -3.5431 -1.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -2.1307 -1.2778 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3401 -3.1590 -0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 -0.8470 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 -0.8070 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 0.4343 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3473 0.3501 1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 0.9029 0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -0.3307 2.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 -0.5081 1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -1.2478 0.6698 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0239 -2.4531 0.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2177 -1.6080 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.5851 0.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 0.1026 1.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -0.1999 2.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 1.2340 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8844 1.3316 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8912 2.4335 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2077 2.1532 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8222 0.8667 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1176 0.6653 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7025 -0.6326 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9859 -1.0086 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1613 -0.1409 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7071 0.0708 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8615 0.6851 -1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3031 4.1148 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9910 4.5161 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8221 3.3826 3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3013 2.0767 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1256 2.9069 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 1.1549 2.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5136 0.5062 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5904 2.5138 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 2.0434 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6986 0.7976 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1105 -1.0670 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2946 -1.2306 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 0.5381 -1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -2.0142 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -0.3675 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 -2.9117 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -2.8835 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -0.3175 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 -0.4572 -2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -2.3347 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 -3.5211 -2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9573 -2.1970 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7694 -3.4180 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 0.0244 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -0.7327 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -1.6925 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 -0.8464 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.3633 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 0.3405 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 0.5298 1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 -1.0864 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 -0.6287 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -2.7366 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -2.4504 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -2.0794 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 2.1482 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4882 1.1126 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1905 0.3751 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 1.6383 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0086 2.5590 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4832 3.3642 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8935 2.9844 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0951 2.1618 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0746 0.9044 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 0.0054 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7920 0.5544 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7228 1.5510 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7578 -0.6355 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8951 -1.4029 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2919 -2.0542 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7658 -1.1792 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0734 0.8386 1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0072 -0.6454 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6238 0.7370 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1960 -0.8852 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0608 1.3216 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3874 -0.0213 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5170 1.3430 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 6 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 1 17 64 1 0 18 65 1 6 19 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 26 73 1 0 26 74 1 0 27 75 1 6 28 76 1 0 29 77 1 0 29 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 40 93 1 0 40 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 42 98 1 0 43 99 1 0 43100 1 0 43101 1 0 M END