HMDB0050214 RDKit 3D TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -0.1929 7.3644 3.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8614 6.8839 2.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 7.2192 3.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 6.3208 3.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 4.8863 3.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 4.2209 4.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 3.5755 5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 3.3735 4.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 1.9288 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.3167 3.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 1.9583 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 1.3113 1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 0.6278 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 0.3768 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7688 -1.1115 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 -1.8577 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -3.3111 -1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 -4.2749 -1.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 -4.4953 -1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -3.3413 -1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -2.5777 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -3.0118 -1.9321 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -1.8091 -1.5967 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8538 -0.9899 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 -0.8422 -3.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -0.1014 -4.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 0.4837 -5.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 0.0451 -5.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 1.4775 -5.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2444 1.4603 -6.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 2.8254 -6.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 3.6428 -5.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 3.1307 -4.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 2.9037 -4.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 1.9394 -5.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 0.8314 -5.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5858 0.3986 -4.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1989 -0.8487 -3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -1.7551 -3.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 -1.8109 -4.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -3.0358 -5.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 -3.0986 -6.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -1.9306 -7.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 -1.7698 -8.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1528 -2.1963 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0876 -2.9970 0.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -3.4243 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -3.0568 0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 -4.2499 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 -5.0845 2.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -4.4670 2.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 -3.5469 3.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -2.9529 3.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 -3.9695 3.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 -3.1903 3.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -4.1387 3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5497 -4.1588 3.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 -3.2134 4.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1326 -2.4800 4.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -1.7518 3.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 -1.0624 2.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 -0.0372 3.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 1.0903 4.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 2.1253 5.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5266 1.6428 6.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3751 8.4554 3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 6.8426 3.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 7.1711 4.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 5.8841 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 7.5523 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3669 8.3019 3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 6.6357 3.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 4.5513 2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8091 4.5418 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 4.3013 5.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 3.1080 6.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 3.9746 3.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 3.7899 5.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 1.3719 5.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 0.2163 3.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 1.9059 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 3.0376 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 1.4430 1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 0.2163 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 0.8547 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 0.7493 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 -1.2424 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -1.5610 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.5369 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -1.4977 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -3.4831 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -3.6425 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -5.3054 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -3.9986 -3.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 -5.2739 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 -5.0012 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -1.2583 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 -1.4249 -3.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2047 0.0407 -2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -0.5611 -6.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 -0.3699 -4.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.9189 -6.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 2.0218 -4.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 0.8760 -5.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 0.9321 -7.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 3.4135 -7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 2.7672 -7.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 4.5913 -5.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 4.0966 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 2.1272 -3.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4329 3.8225 -3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 3.9583 -4.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 2.7898 -3.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0136 2.1259 -6.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 0.2563 -6.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 1.2197 -3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7386 0.4285 -4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 -1.0723 -2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -2.6617 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -2.0168 -4.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -0.9032 -5.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 -3.9851 -5.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 -4.0751 -7.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -2.1450 -8.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 -1.0283 -7.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3643 -1.5765 -7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7782 -0.9615 -9.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 -2.7056 -8.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7048 -1.2852 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 -2.7478 -1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0691 -4.9715 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5126 -3.6649 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0202 -5.8862 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -5.6816 3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -3.9373 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -5.2706 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 -2.6971 3.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 -4.0965 4.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -2.2457 2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -2.4129 4.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 -4.6694 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8223 -4.5143 4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 -2.5731 2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 -2.4585 3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4622 -4.9249 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -4.9427 3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -2.4376 5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 -3.8002 5.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 -1.7829 5.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 -3.2359 4.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 -1.1097 3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 -2.5410 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 -0.5512 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 -1.8048 2.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1045 -0.4630 4.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6537 0.4337 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 1.6161 3.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 0.6922 4.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 2.6128 4.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 2.9304 5.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 2.5331 7.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 0.9098 6.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5886 1.3269 6.5268 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END