HMDB0298769 RDKit 3D DG(i-14:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0) 107106 0 0 0 0 0 0 0 0999 V2000 14.6787 -1.9741 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3352 -2.6491 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2874 -1.5698 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -2.1770 1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8967 -1.0187 1.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 -0.1467 2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4528 1.1288 2.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5339 1.9124 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 3.0279 1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6266 3.0977 0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4007 2.1339 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9628 1.5731 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 0.9793 1.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 2.6569 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 2.6485 -1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 1.5710 -2.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 1.5874 -3.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 0.4567 -4.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 0.0183 -4.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -0.3767 -2.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 -0.7783 -2.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -0.8421 -3.9497 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 -1.0879 -1.7034 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 -1.4629 -1.8385 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5355 -2.8039 -1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 -3.3289 -1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.3347 -1.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.5236 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3131 -1.2025 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -1.8150 0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -1.2540 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -0.2815 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -0.2265 -2.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5359 0.1457 -1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2598 1.4812 -0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2841 1.8793 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3482 0.8749 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3646 1.2660 2.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7506 1.4324 2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3728 0.2386 1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5187 -0.9587 2.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3743 -0.6873 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2943 -2.0191 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7745 -1.0190 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4506 -2.6958 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8934 -1.8649 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3351 -3.2474 2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 -3.2077 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5044 -1.0153 2.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3116 -0.8494 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6659 -2.6754 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8470 -2.8629 2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8516 -1.4434 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9582 -0.5030 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.6014 3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6443 1.6967 3.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 1.2997 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5680 2.4043 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 3.8329 2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9186 3.9624 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1068 1.3384 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2928 2.7231 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 0.7131 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 1.2234 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0735 3.5370 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 3.5400 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6425 0.6837 -2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 2.4470 -3.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 0.7089 -5.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -0.4299 -3.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 -0.7926 -4.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 0.9353 -4.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -1.2845 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 0.4490 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -1.4559 -2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.8196 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -3.5800 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -3.1151 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -0.0526 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 0.5812 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -1.1194 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0033 -2.2733 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 -0.5574 -2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7338 0.7395 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6401 0.5394 -3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8173 -1.2177 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5568 -0.6791 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5447 0.2090 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2633 1.5563 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2324 2.2322 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0268 2.9047 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2667 1.9140 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7028 -0.0819 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3795 0.8284 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0334 2.1656 3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3403 0.4287 3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7244 2.2409 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3639 1.8785 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7430 -0.0557 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3579 0.5327 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5366 -1.4022 2.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0894 -1.4417 4.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2315 0.3320 3.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4538 -0.8339 3.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5643 -2.8076 2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6990 -2.4740 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2567 -1.5976 1.1771 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 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 24 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 41 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 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 6 25 76 1 0 25 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END