HMDB0051096 RDKit 3D TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -0.9555 -0.5805 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.2849 -5.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -0.4529 -6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 -0.5708 -6.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5113 0.0114 -6.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 0.9673 -7.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 2.2295 -7.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 2.8915 -5.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1408 3.5442 -5.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 3.2918 -4.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 2.3068 -3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 2.9129 -1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 3.8344 -1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 2.9980 -1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 3.7196 -1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 2.6860 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 1.5466 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 1.8710 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 1.4671 0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 2.6073 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 2.8318 2.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 3.7062 2.9835 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5837 5.0354 2.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 5.4202 2.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5902 5.6621 3.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 5.5967 4.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 6.0077 3.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 6.3768 1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8016 6.6382 1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 5.3576 1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2264 4.7521 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4477 5.2646 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9571 4.5352 -1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2717 3.4611 -1.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 2.5438 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 1.1645 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 0.4277 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1804 0.7934 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 -0.2148 2.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0846 -1.6108 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4599 -2.6023 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7171 -2.2370 4.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1987 -2.2099 4.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4467 -1.8085 5.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7971 -2.7610 6.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 3.0630 2.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6868 2.8180 4.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 3.1983 5.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 2.0207 3.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 1.4497 2.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9845 0.5183 1.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -0.6739 2.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -1.8399 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1513 -2.0078 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 -2.4511 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 -3.5261 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -4.4876 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 -4.5054 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 -5.5801 -1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -6.8911 -1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 -7.9224 -2.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 -7.6036 -2.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6941 -7.7220 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -7.3510 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 -7.5140 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6916 -6.7389 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 -5.2576 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2954 -0.6980 -3.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 -0.0885 -3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 -1.5714 -4.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 0.7753 -4.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 1.0779 -5.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 -0.9133 -7.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -1.1503 -7.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 0.3382 -5.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -0.8784 -6.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3705 0.6023 -8.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6705 2.8818 -7.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 3.6848 -6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 2.1871 -5.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 4.3464 -5.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 3.8887 -3.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 1.5995 -3.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 1.6922 -3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 2.0423 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 3.3964 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 4.6254 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 4.2467 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 2.1877 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 2.5072 -2.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 4.4298 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 4.2978 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 3.2340 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 2.2561 -3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 0.7910 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2944 0.9499 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 1.8701 2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 3.2422 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 3.9746 4.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 5.8468 2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 4.8877 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 6.9256 3.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6806 5.2023 3.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 5.5731 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 7.2897 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 7.0715 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 7.3641 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3971 4.8889 2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7209 3.7973 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1497 6.3545 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5993 5.3734 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2415 5.0174 -2.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0512 3.1411 -2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8147 2.8939 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 2.4380 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0427 0.7450 -2.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2087 -0.5937 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 0.7233 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7855 1.7655 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 0.1057 3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 -0.1934 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7236 -1.8952 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1646 -1.7042 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3943 -2.7625 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -3.5622 2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2642 -3.0025 4.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 -1.2857 4.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6728 -1.4769 3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 -3.2440 4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0453 -0.7754 6.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5399 -1.7866 6.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 -2.6826 6.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1431 -2.5551 7.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1384 -3.7900 6.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 2.6621 3.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 1.2150 4.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 0.8910 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 2.3261 1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1174 0.3611 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9533 1.0944 2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4262 -0.5747 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 -2.7172 3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 -1.0672 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8288 -2.7350 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 -1.7467 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -3.8070 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 -5.4240 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -4.1330 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 -3.5305 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 -5.5384 -2.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -7.2451 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -7.0425 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 -8.9066 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 -8.0093 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 -8.3364 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 -6.6051 -2.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 -7.1966 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 -8.8098 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -6.3192 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 -8.0311 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 -7.1534 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1761 -8.5705 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4621 -6.9934 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7304 -7.1161 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6977 -4.8678 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -4.9801 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 -4.7478 1.3258 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 1 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 2 0 53 54 1 0 54 55 1 0 55 56 2 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 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 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 12 86 1 0 13 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 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 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 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END