HMDB0299580 RDKit 3D DG(i-18:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0) 119118 0 0 0 0 0 0 0 0999 V2000 -16.4102 2.3085 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4209 1.1562 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8852 0.8085 -1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9007 -0.3186 -1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5334 -1.4522 -1.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6799 -0.0071 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0010 1.1768 -1.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7954 1.2845 -1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 0.3052 -2.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9636 -1.0965 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3835 -1.7478 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4171 -1.0501 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8791 -1.1238 1.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 -1.6914 2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9617 -2.3737 2.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1922 -2.5828 1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 -2.0803 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -1.2436 2.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9117 0.1170 1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 0.1173 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -0.4507 0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -0.8895 1.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -0.5637 -0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.1558 -0.0660 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8041 -2.3850 -0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 -2.2035 -2.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 -0.0874 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -0.4909 0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -1.2792 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 -1.8305 -1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -1.4982 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -0.3993 1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 0.9225 1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 2.0848 2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 3.3816 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 3.7819 1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 2.9610 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 1.8760 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 0.9995 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 0.3011 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0198 -0.6040 -1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2066 -0.0790 -2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2692 0.6156 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8204 -0.2273 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 -1.5322 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5748 -1.3135 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8440 -2.3037 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0536 3.0463 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4375 1.9543 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4327 2.8304 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9118 0.2762 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6179 1.5261 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4968 1.6931 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7625 0.4398 -2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5494 -0.5405 -2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4987 -1.4132 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1262 -0.9273 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1145 0.2004 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6623 2.0962 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5183 2.3482 -2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5250 0.2866 -3.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 0.7285 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6480 -1.7258 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6219 -2.8116 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 0.0888 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4117 -1.2356 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8843 -0.6322 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7746 -1.6311 3.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3261 -1.8850 3.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1031 -3.4316 3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6234 -3.2535 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5094 -2.3313 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 -1.0337 3.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 -1.6995 2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 0.7074 2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 0.6273 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5639 -0.3084 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 1.2032 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4722 -1.4626 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -3.0098 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -3.0029 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 -1.2277 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.4382 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 0.6934 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 -1.3986 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -2.4653 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 -0.3559 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 -0.5906 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 1.0968 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 0.8693 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 1.8112 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2951 2.1427 2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 3.5676 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 4.1770 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5761 4.2129 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 4.7610 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9148 3.6353 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7044 2.5814 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 1.2420 1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3146 2.3845 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8717 0.1808 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5762 1.5734 0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 1.0842 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 -0.2501 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 -1.2790 -2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3568 -1.3662 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9163 0.6289 -2.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7385 -0.9301 -2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0792 1.6492 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1617 0.7121 -2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 0.3733 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0517 -0.5248 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6124 -2.1219 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9119 -0.2394 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4359 -1.9681 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -1.6333 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9374 -2.8104 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1383 -1.5523 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6762 -2.9952 0.3245 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 1 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END