HMDB0298255 RDKit 3D DG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/a-25:0/0:0) 142141 0 0 0 0 0 0 0 0999 V2000 13.6364 -2.9840 2.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6537 -1.9868 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3397 -0.7767 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4377 -0.2432 0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3068 -0.7259 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9683 -1.9687 -0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7420 -2.1539 -2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8050 -1.0987 -3.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5872 -0.7801 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0521 0.4307 -3.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 1.6041 -3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8499 2.4590 -2.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.3579 -1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6732 1.3201 -2.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1941 0.7604 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9384 0.9343 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9987 1.6354 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7571 1.8444 -0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1192 1.3900 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9393 1.6716 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 2.2940 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 1.9704 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 0.6385 1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 0.3555 2.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 -0.3814 0.7815 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 -1.6308 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 -1.4815 0.2847 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7792 -0.9067 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 0.3733 -1.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -0.6170 0.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.9161 1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.0594 1.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 0.1664 2.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 1.4605 1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 1.5400 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 1.4323 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 0.2305 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 0.4632 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 -0.6810 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -0.9870 1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7463 0.1467 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 0.6951 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2167 -0.2875 1.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4834 0.4606 1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7238 -0.3419 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7838 -1.5307 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6581 -1.2276 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5369 -0.3369 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9866 -0.5222 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8024 -0.4775 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3056 -0.6860 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0890 -0.6312 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5399 -0.8523 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0858 -0.7568 1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3646 0.0338 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0449 -0.0110 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4607 -2.4820 3.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6570 -3.4239 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8388 -3.7280 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8341 -2.4441 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5244 -1.6987 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8016 -0.2422 2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7322 0.7169 1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4133 0.1392 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3958 -0.7924 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9472 -2.8865 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4856 -3.1947 -2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3235 -0.2314 -2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5403 -1.5417 -3.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0837 -1.6243 -4.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 0.4621 -4.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6292 1.4739 -2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8384 2.3448 -4.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4688 3.3796 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3817 3.2025 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8776 1.5201 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2544 0.4254 -2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 0.2475 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5825 0.5141 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 2.0494 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 2.3903 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 0.3225 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 2.6589 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 2.2169 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 3.3614 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 2.0414 2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 2.7350 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -2.2931 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1544 -2.0179 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2523 -2.4995 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.8575 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 -1.5708 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 1.0923 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 -0.1839 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 0.2344 3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.7163 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 2.2674 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 2.5328 -0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 0.8048 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 1.6425 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 2.3375 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 0.0488 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.6795 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 1.3867 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 0.6879 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0515 -0.6038 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -1.6017 -0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8906 -1.8812 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 -1.2771 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 0.9594 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7872 -0.1943 3.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2937 1.5511 2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1087 1.1362 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0517 -1.2009 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2447 -0.6045 2.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5949 1.2627 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3080 1.0089 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7949 -0.7729 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5814 0.3439 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8327 -2.1250 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5682 -2.1979 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6118 -2.2247 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5871 -0.8634 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1560 -0.2152 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4008 0.7451 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3580 0.3686 -2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2879 -1.3754 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7964 0.5307 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5117 -1.1765 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6042 0.1884 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4495 -1.6626 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9486 0.4334 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5999 -1.2446 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7249 -1.9090 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0671 -1.2309 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3298 -1.2626 2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1253 0.2988 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2708 1.1141 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4378 -0.2891 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0365 -0.0521 -2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5005 -0.9120 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6055 0.9441 -2.1821 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 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 28 29 1 0 27 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 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 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 6 28 91 1 0 28 92 1 0 29 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 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 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END