HMDB0299483 RDKit 3D DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/i-17:0) 114113 0 0 0 0 0 0 0 0999 V2000 11.9194 0.7695 2.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7854 0.6676 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 -0.4936 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5736 -0.3835 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1052 0.7968 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1696 1.0637 -1.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7866 0.4260 -3.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0987 -0.8897 -3.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8163 -0.6653 -3.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 -0.8981 -3.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 -1.4379 -1.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6148 -2.7108 -1.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 -2.8136 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 -1.7591 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6006 -1.9595 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 -0.7998 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -0.4735 1.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 0.3677 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 1.5072 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 1.1481 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 0.7719 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -0.4064 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 1.7913 -0.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 1.6846 -1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 0.9939 -1.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2708 -0.3026 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5684 1.7400 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 1.2285 0.4182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 1.1326 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 1.5314 -1.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 0.5814 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 0.1626 1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 -0.3990 2.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3956 0.6005 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 0.1233 2.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2867 -1.0669 2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6293 -0.8503 0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 0.2859 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8894 0.4020 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8492 1.4931 -1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2006 1.3690 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8593 0.1007 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2455 -0.0632 -0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2250 -0.0963 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4103 -1.2127 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6657 -0.3213 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4166 -0.1182 3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3372 1.6612 3.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 0.7970 3.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6834 0.3928 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 1.6005 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2817 -1.5067 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0712 -1.3756 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6057 1.6952 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1704 0.9243 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6744 2.0719 -2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9694 0.8754 -4.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 -1.3492 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7346 -1.6315 -3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9599 -0.2727 -4.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7754 -0.6797 -3.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 -1.5845 -1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 -0.6557 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0286 -3.5737 -2.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9517 -3.7991 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2707 -0.8099 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -2.9042 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 -1.1966 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6418 0.0959 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 0.0390 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 0.6416 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 1.7817 1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 2.3969 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4999 2.0269 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 0.3348 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0457 2.7415 -1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7513 1.1605 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 1.0363 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -0.9414 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 1.6287 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 2.8014 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 1.3683 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 -0.2845 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 1.0009 2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -0.6593 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6015 -1.3439 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0235 -0.6566 3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5988 0.9050 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0599 1.4808 2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5279 -0.1311 3.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3971 0.9854 2.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5638 -1.8973 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1958 -1.3347 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6805 -0.6366 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0712 -1.7971 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2195 1.2262 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5748 -0.0018 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9275 0.5900 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2932 -0.5605 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3988 2.5136 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0012 1.4550 -2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1861 1.4938 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8193 2.2251 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9759 0.1547 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2448 -0.7853 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8533 0.7876 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6643 -0.9925 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9221 0.9085 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0475 -1.9253 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9637 -1.7987 2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5625 -0.7361 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0453 -1.2704 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6544 -0.3217 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2904 0.5397 1.0571 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END