HMDB0050921 RDKit 3D TG(20:3(5Z,8Z,11Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 3.7143 -11.3460 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -11.4941 -3.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -10.5315 -2.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 -9.6182 -2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 -9.3802 -2.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -9.5229 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 -8.5647 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 -7.2385 -1.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -6.8619 -1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -5.7819 -1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -4.9607 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 -3.6025 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 -2.7477 -1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 -3.0931 -2.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -2.2103 -3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -1.5353 -4.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -1.5081 -5.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 -0.2068 -5.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.1651 -5.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 -0.7251 -5.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 -0.1883 -4.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 0.0415 -3.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.1776 -3.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 0.4581 -2.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 0.6385 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.1787 -0.4815 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4442 0.3369 -0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -1.0127 -0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2235 -1.9135 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2356 -1.4598 -1.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 -3.3638 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 -3.5878 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 -3.0036 2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 -3.7967 2.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 -3.4091 3.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 -2.0349 2.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 -1.5089 4.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -1.3142 4.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -1.5496 4.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -0.3682 4.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 0.1530 3.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 -0.3567 1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 0.6952 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 1.7790 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 2.8304 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 3.6098 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 4.6381 -1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 5.3280 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 6.3892 -1.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 1.2545 0.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 2.2645 1.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 3.4359 1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 1.9358 3.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 3.0248 4.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 3.5196 3.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 4.5774 4.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 5.0095 5.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 6.0653 6.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 6.5298 6.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 7.6324 7.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 8.8977 6.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 9.4331 5.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 10.6818 5.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 10.5377 4.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 9.5260 3.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 9.4597 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 8.4878 1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -12.3295 -5.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6851 -10.9446 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -10.6562 -5.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -12.5231 -3.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -11.5263 -3.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 -10.6230 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -8.9506 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 -10.2214 -3.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -8.4224 -3.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 -10.5108 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 -8.7274 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2754 -7.1865 -2.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -6.5279 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -7.4733 -2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -5.6237 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -5.5316 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -4.9225 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1381 -3.1431 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 -1.7030 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 -4.1095 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.8626 -3.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3187 -2.1710 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -0.8931 -4.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -2.3328 -5.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7155 -1.8658 -6.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 0.6120 -5.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.2336 -6.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -1.7809 -5.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3313 -0.7726 -6.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 0.7225 -5.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 -0.9319 -4.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -0.3338 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 1.3159 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 2.1902 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 0.6941 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 0.3790 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5639 -3.9152 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -3.7494 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 -4.6729 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -3.1840 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8889 -3.0901 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 -1.9522 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1947 -4.8878 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -4.1980 3.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -1.3711 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -2.1255 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 -1.2877 4.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -0.9047 5.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -2.2820 5.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 -2.0689 3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 0.1331 5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 1.0431 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -1.2825 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 -0.6318 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 0.2568 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 1.0953 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6535 1.2388 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 2.2568 1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 3.5101 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 2.3929 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 2.9885 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4023 4.2134 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 5.3452 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0627 4.1335 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 4.5722 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 5.7795 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 7.2433 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 5.9504 -2.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 6.8047 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 1.0369 3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 1.4942 3.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 2.7271 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 3.9516 3.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 3.9295 2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 2.6827 4.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 5.4388 4.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 4.2249 6.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 5.4250 4.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 4.1368 5.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 5.6227 7.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 6.9121 5.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 6.7563 5.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 5.6667 6.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 7.2983 8.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 7.9143 7.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 8.7303 6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 9.6301 7.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 8.6414 5.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3007 9.6328 6.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 11.1492 4.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 11.4344 6.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 10.1929 5.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 11.5309 4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 9.7857 2.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 8.5498 3.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 9.2360 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 10.4904 2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 8.9252 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0015 8.4265 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 7.4865 2.0208 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 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 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 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 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END