HMDB0048781 RDKit 3D TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 151150 0 0 0 0 0 0 0 0999 V2000 0.5093 -3.2559 11.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -1.7361 11.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 -1.1868 10.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -0.2906 9.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 0.2643 10.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 0.0002 9.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 0.9758 9.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 2.3736 9.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 3.2810 8.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 3.0642 6.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 1.7544 6.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.8328 5.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 1.6177 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 1.2768 3.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -0.0429 2.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 0.1714 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1247 -1.0093 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 -0.6299 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 0.3651 -0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 -1.3094 -1.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 -0.9750 -3.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 -1.8919 -4.2539 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7748 -3.2489 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4379 -4.0378 -3.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9468 -5.3426 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6243 -5.6225 -4.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8201 -6.3697 -2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0367 -6.2239 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -6.2355 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -5.3447 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -5.5641 -2.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -4.4562 -3.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 -4.4370 -2.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -3.2984 -3.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -2.3353 -2.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 -2.2471 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -0.9974 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 0.2649 -1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8499 1.4253 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 2.7717 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 2.9804 -2.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 -1.7553 -4.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -1.0383 -5.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -0.4497 -6.1858 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -0.9810 -5.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 -0.0031 -6.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -0.0443 -5.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 0.9434 -6.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 2.3135 -6.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 3.2635 -6.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 3.0614 -5.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 3.9251 -6.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 4.8619 -6.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7964 5.1994 -5.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 5.0035 -4.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 4.2099 -3.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 3.3425 -3.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 3.7144 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 2.8577 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 1.3968 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 0.6064 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -3.7756 12.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 -3.4867 11.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -3.6553 10.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.6955 11.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1332 -1.2140 12.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 -1.5251 9.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 0.0791 8.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -0.2084 11.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 1.3255 10.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 -1.0389 9.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 0.6814 8.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 2.6367 10.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 2.7724 9.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 4.3814 8.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 3.9058 6.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 1.6927 5.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 0.8701 6.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5637 2.0860 5.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 1.7239 3.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 2.0588 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 1.2248 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 -0.8207 3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 -0.2546 2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 0.9830 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0232 0.4892 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -1.3575 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -1.8190 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 0.0546 -3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -1.2415 -2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7558 -1.3723 -5.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4274 -3.8156 -5.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9101 -3.2218 -4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 -7.3890 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8946 -6.6120 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 -6.9962 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 -5.2694 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 -7.3231 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2886 -6.1969 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -5.3919 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -4.2443 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9426 -6.5382 -3.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -5.7432 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 -4.6263 -4.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 -3.4585 -3.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -5.4030 -3.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -4.5268 -1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -3.3205 -4.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -1.5285 -3.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -3.0804 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8087 -2.1266 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -1.0094 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.0014 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8338 0.3443 -2.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 0.3211 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 1.3686 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 1.4037 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 2.9039 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 3.5333 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 3.4599 -2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 2.0581 -3.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6949 3.6977 -3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 -2.0091 -5.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.8542 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 1.0284 -5.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -0.2623 -7.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6173 0.1898 -4.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 -1.0605 -6.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 0.6683 -7.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 0.6760 -6.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 2.5238 -6.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 4.2566 -6.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 2.0309 -6.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 3.3477 -4.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6026 3.7117 -7.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 5.4453 -7.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 4.7535 -4.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 6.3483 -4.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9765 5.5987 -5.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 4.1574 -3.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 3.3779 -3.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 2.2963 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5373 3.5463 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 4.7891 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9782 3.1730 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 3.0180 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 1.0837 -1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0722 1.2121 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 0.5819 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0057 -0.4372 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2091 1.1491 0.4769 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 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 2 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 M END