HMDB0053369 RDKit 3D TG(20:2n6/16:1(9Z)/20:3n6) 167166 0 0 0 0 0 0 0 0999 V2000 7.0629 -0.7104 -5.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 0.3721 -4.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7922 0.0101 -3.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 1.1331 -2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 0.8254 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -0.3519 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -0.4246 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 0.7203 1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3641 0.4977 2.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 0.4911 3.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 0.7013 2.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 1.8572 3.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0449 1.8424 3.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 0.5914 4.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 0.7451 3.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -0.5748 2.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -0.5324 1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3539 -1.8900 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3364 -1.9471 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6321 -1.6201 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4191 -0.4075 -1.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1623 -2.5464 -1.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.1932 -2.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 -1.6317 -2.4616 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4480 -1.0323 -3.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 0.0785 -4.0955 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3429 1.2086 -3.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 1.2437 -2.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 2.3353 -3.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3036 3.4963 -2.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 3.1697 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 4.3149 -0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9241 4.9468 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2618 6.0614 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 6.8564 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2912 7.6228 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3373 8.4703 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 7.7147 1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 7.8129 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 8.7278 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 8.3385 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0901 7.1793 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6862 5.8343 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 5.1154 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 3.7102 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 3.5738 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 4.3273 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -2.7303 -1.8891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0608 -2.7646 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -1.8326 0.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 -3.9400 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 -3.8460 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -4.8279 2.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -6.2649 2.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -6.8601 2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -6.6000 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 -7.2026 1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -8.5739 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 -9.6512 1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8221 -9.8013 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -10.6183 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 -10.1420 -1.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 -8.8134 -2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 -8.6352 -3.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -7.2871 -4.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -1.3262 -4.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5088 -0.2440 -6.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 -1.3500 -5.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4888 0.4616 -4.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 1.3304 -4.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -0.8732 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -0.3163 -2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8177 2.0770 -2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 1.3227 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5964 0.5646 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 1.7323 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -1.3024 -0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 -1.4034 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0673 1.5483 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 1.1421 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 0.3346 3.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3017 0.3305 4.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 0.7065 1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -0.2767 3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 2.8254 3.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.7634 4.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2724 0.5550 5.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 -0.3270 3.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6109 1.0205 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 1.5577 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -1.3865 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.8150 3.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -0.1030 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5782 0.1636 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -2.1749 2.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -2.6697 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7162 -2.9800 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -1.3068 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -3.0801 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0304 -1.3787 -3.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.8905 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 -0.6253 -3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -1.7228 -4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 1.9486 -4.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 2.6623 -4.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9488 4.2391 -3.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 4.0341 -2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 2.8462 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 2.2704 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 4.0224 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 5.1196 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 4.1952 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 5.3190 -1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 5.7363 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 6.7879 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 7.6581 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 6.2681 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 6.9865 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 8.3310 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 9.1057 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 9.1967 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 6.9526 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 7.1844 2.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 9.5202 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 9.4348 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 9.1984 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9163 7.1545 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 5.3020 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 5.7592 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 5.7329 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 5.0911 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 3.2796 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 3.1180 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 3.7978 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 2.4786 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 5.0801 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 3.6479 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 4.8076 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 -3.8337 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 -4.8128 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -3.5217 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1798 -2.8464 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.5053 3.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3615 -4.6702 2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -6.6932 3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 -6.7685 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -6.3327 3.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 -7.9045 2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -6.7570 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -5.4583 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 -6.7912 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 -6.5778 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 -8.7963 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 -10.6408 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 -10.4605 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -8.9285 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9476 -11.6649 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 -10.7609 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8073 -10.8903 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 -10.2237 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -7.9503 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -8.6748 -2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -9.4560 -4.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 -8.6026 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 -7.3822 -5.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 -6.9837 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -6.5416 -3.9337 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 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 1 0 27 28 2 0 27 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 1 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 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 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 1 0 57 58 1 0 58 59 2 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 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END