HMDB0295126 RDKit 3D DG(20:4(5Z,8Z,11Z,13E)+=O(15)/14:0/0:0) 105104 0 0 0 0 0 0 0 0999 V2000 11.9737 0.9932 -3.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9247 2.3226 -2.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 3.0424 -3.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4549 2.2611 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 2.0188 -1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5585 1.2491 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -0.0828 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -1.0340 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -1.5392 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 -0.7350 2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -0.1113 2.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 0.8084 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 1.3276 2.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 0.2346 2.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 -0.9265 2.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 0.4529 3.6716 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -0.5388 4.0964 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7937 -1.0124 5.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 0.0495 6.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 -0.2608 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -0.0086 2.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 -0.9267 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 -2.0204 1.9204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.5574 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -1.0560 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 -2.5792 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -3.0048 1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9411 -3.8035 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5126 -4.4422 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1554 -4.2421 -2.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1708 -3.4898 -2.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8885 -2.6426 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2794 -3.0605 -1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3279 -2.2895 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1845 -0.9049 -1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2311 -0.1220 -2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0368 1.2722 -2.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9020 1.7845 -2.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2063 2.1643 -2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9106 3.5895 -2.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5912 4.2221 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5183 3.8351 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6051 2.5008 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0136 0.4723 -3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4169 1.0535 -4.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6860 0.3398 -3.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2051 2.2468 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6978 2.9714 -3.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 3.9804 -2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3651 3.3159 -4.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5468 2.9241 -2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2522 1.3520 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 2.9974 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 1.4567 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5953 1.8254 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8123 1.2629 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1534 0.0808 -2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 -0.6054 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 -1.9377 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3635 -0.6018 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -2.1797 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 -2.3968 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5277 -1.5266 3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2079 -0.0144 2.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 -0.9437 2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2654 0.4682 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 1.6790 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 0.2764 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 2.0802 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 1.8629 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 -1.4508 3.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.4216 5.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 -1.7962 5.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.2661 7.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 0.6402 4.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -1.1063 4.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 0.5253 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -1.0588 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -0.7293 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -0.6194 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -2.7942 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -3.0232 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8182 -2.6224 1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9853 -4.0363 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 -4.1852 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3973 -5.5728 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7025 -4.8247 -3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5137 -3.4936 -3.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -2.2634 -0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9939 -1.6569 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4894 -4.1029 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3496 -2.7058 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2272 -0.4518 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2142 -0.5146 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5282 1.9502 -3.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0466 1.8694 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1379 3.9115 -3.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8349 4.1497 -2.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4484 5.3523 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5803 4.2901 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5299 4.6108 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4836 3.9958 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5205 2.6188 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5975 1.9944 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7638 1.8204 0.0770 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 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 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 6 18 72 1 0 18 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 M END