HMDB0297079 RDKit 3D DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0) 89 88 0 0 0 0 0 0 0 0999 V2000 -11.3184 2.4798 3.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1787 2.1134 3.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5019 0.8739 3.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9709 1.1603 2.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3052 -0.1117 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7660 0.1163 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -1.1330 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9908 -1.4974 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1211 -2.0595 1.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7094 -1.2217 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 -1.4995 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -1.0170 -0.0923 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7366 0.4317 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 1.2633 0.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -1.7806 -1.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 -2.5047 -1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -2.4861 -1.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -3.2759 -2.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -2.4696 -4.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 -2.1005 -4.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 -1.3260 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0806 -0.1299 -5.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 0.7589 -4.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 0.4774 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 0.3873 -1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 0.5779 -2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -0.6272 -1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -0.6342 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7574 0.6297 -0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 0.9938 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0948 1.1105 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9147 0.8932 1.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7991 -0.2284 2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2388 -0.0081 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8319 1.1904 2.5206 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6326 1.0740 4.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3313 2.3818 2.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6482 1.5645 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1623 2.8866 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8990 3.2143 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6170 1.8344 4.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4670 2.9469 4.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6531 0.5685 4.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2732 0.0845 3.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7729 1.4204 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2412 1.9691 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0473 -0.9493 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4977 -0.3427 2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5369 0.5079 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9395 0.8695 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8324 -1.9820 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -0.9108 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5257 -0.9821 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -2.5860 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.0354 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.4947 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 0.7550 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 1.0532 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -4.2180 -2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -3.5193 -3.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -1.4789 -4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4607 -2.9565 -5.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 -3.1407 -4.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -1.7469 -3.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.8600 -6.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 0.2918 -6.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 1.7111 -4.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 1.2503 -4.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 0.3509 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 0.1706 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 1.5011 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 0.6552 -3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -1.5500 -2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9038 -1.5447 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 1.4538 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 0.3145 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 1.1805 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 1.3929 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8736 0.7558 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 1.8439 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4393 -1.2105 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6403 -0.3289 3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 -0.9059 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4109 0.1569 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9665 1.2021 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6815 1.5261 4.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4707 1.6673 4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6731 0.0158 4.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9393 2.8355 1.4227 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 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 1 0 34 35 1 0 35 36 1 0 35 37 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 11 53 1 0 11 54 1 0 12 55 1 1 13 56 1 0 13 57 1 0 14 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 1 36 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 M END