HMDB0051179 RDKit 3D TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(6Z,9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -3.2768 -2.4734 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -1.4706 2.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0304 -0.1215 2.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 0.9624 3.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 2.3106 2.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 2.5121 1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 2.6350 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6222 2.6236 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3396 1.4864 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0829 0.6993 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3553 0.7903 3.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1481 -0.4004 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4651 -0.4829 4.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7127 0.4921 5.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3638 -0.1473 6.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 0.8230 6.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 0.2232 7.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3202 -0.4823 6.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 -1.6671 6.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.0303 6.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -0.9040 5.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 -0.3014 4.9295 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7470 0.9985 4.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8307 1.8367 3.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 3.0689 3.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 3.2407 3.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 4.1205 2.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 5.0944 2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 4.3548 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 5.1364 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 5.5878 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 5.4323 -1.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 6.8552 -2.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 7.2127 -3.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 6.2639 -4.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5791 6.2852 -5.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 5.3500 -5.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4295 4.0407 -5.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 3.9294 -4.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0112 2.7251 -3.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7739 1.4599 -4.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0677 0.2676 -3.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 0.2743 -3.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9074 -0.8833 -2.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1548 -0.7541 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 -1.2721 4.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 -2.0108 4.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 -1.7787 5.6003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 -3.0695 3.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7756 -2.9358 2.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -1.6774 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 -1.4937 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 -2.6952 -0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -2.4625 -2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 -2.1098 -1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 -1.9161 -3.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -1.4741 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 -1.3346 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -2.0036 -4.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 -2.9448 -3.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -4.3182 -4.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0624 -4.8806 -4.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 -4.2667 -4.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 -5.0915 -3.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4386 -4.3478 -2.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2482 -5.0865 -1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5467 -4.3221 -1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8257 -1.9658 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0168 -2.9647 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 -3.2801 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 -1.7776 3.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 -1.5155 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 0.1909 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -0.1760 2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 0.7125 4.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 1.0736 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 3.0715 3.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 2.3308 3.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 2.5627 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 2.7766 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0933 3.5948 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 2.7580 2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2517 1.2623 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5919 -0.1841 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9384 1.7160 3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4939 1.0218 3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6193 -1.3758 3.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4447 -1.5140 5.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 1.4451 5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2375 0.6632 6.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8586 -0.4661 5.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 -1.0464 6.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 1.7302 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 1.2038 7.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 -0.5412 8.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.9734 8.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 -1.8893 5.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -1.0841 4.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -0.1799 5.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 0.9456 3.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 1.6012 5.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 3.7885 2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 4.7431 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 5.3370 2.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 5.9964 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 3.3193 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 4.2147 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 5.3910 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 6.1614 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 5.1265 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 4.7572 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 7.5493 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 8.2495 -3.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 6.7124 -5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 5.2644 -4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 7.2408 -6.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1814 5.4586 -6.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 3.2007 -5.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 4.0254 -4.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 3.9230 -5.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 4.8712 -4.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 2.7930 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 2.8207 -2.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 1.3912 -5.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7831 1.3864 -4.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4129 0.4282 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.6631 -4.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 1.2001 -2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1438 0.2324 -4.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0051 -0.8229 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 -1.8457 -2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5524 -1.6637 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 -0.6141 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 0.1113 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 -3.0164 3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1002 -4.0850 4.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -3.8215 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -2.9816 2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -1.7651 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 -0.7763 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -0.5644 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -1.4020 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -3.1049 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.5154 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 -3.3875 -2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 -1.6639 -2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -1.1531 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.8895 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 -1.1154 -3.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -2.8335 -3.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 -0.4716 -2.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -2.1810 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -0.6336 -5.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -1.8657 -5.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -3.0246 -2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 -2.4891 -3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9811 -4.9023 -4.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 -5.9265 -4.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3995 -3.2491 -3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0047 -4.3377 -5.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5408 -5.0359 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 -6.0970 -3.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2348 -3.3139 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9861 -4.3517 -3.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7009 -5.2944 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5308 -6.0878 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4210 -4.9262 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5706 -3.4002 -2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6462 -3.9989 -0.6354 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 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 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 22 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 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 1 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 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 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END