HMDB0044167 RDKit 3D TG(16:0/20:3(5Z,8Z,11Z)/20:0) 173172 0 0 0 0 0 0 0 0999 V2000 0.4875 3.8467 7.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 3.6037 8.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 2.2388 8.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 1.0700 7.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 0.9231 6.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 1.8730 5.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 1.9259 4.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 2.8986 3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 4.2558 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 5.2311 3.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3662 5.1654 2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 5.6240 3.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 4.9160 3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 3.5033 3.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 2.5922 4.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 1.7875 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 1.6152 3.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 1.9492 4.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7487 1.6204 3.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 0.1431 3.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -0.6498 3.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8902 -0.3524 1.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -1.7216 1.6674 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1072 -2.1882 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4276 -1.5697 -0.7269 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -0.2485 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2943 0.5114 -0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 0.2610 -2.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 1.7034 -2.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 2.1649 -3.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 2.1343 -3.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 3.0671 -2.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 3.1114 -1.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 3.5541 -2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 3.5959 -2.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 4.0085 -3.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 4.1615 -3.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 3.0126 -3.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 2.2567 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 2.8151 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9598 3.3300 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 4.4277 -1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 -1.9401 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 -3.3174 1.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 -3.6041 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7157 -2.6046 2.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 -4.8778 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5465 -6.0992 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 -6.2870 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 -6.1350 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -4.7431 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 -4.6409 -2.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -3.1552 -3.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 -2.7944 -4.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 -3.3023 -4.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 -2.6539 -3.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 -3.1138 -3.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 -4.6015 -3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -4.9129 -3.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -6.3210 -2.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 -7.3759 -3.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -7.3942 -5.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 -6.3083 -6.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -6.6520 -7.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8407 -7.9999 -7.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6016 4.2303 6.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 4.6225 7.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 2.9261 7.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 4.0446 7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 4.2725 8.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 2.2539 9.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.1099 9.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 0.8420 7.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 0.1613 8.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -0.1315 6.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 0.9129 7.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 2.8466 5.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 1.4316 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 2.0885 5.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 0.8644 4.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 2.5338 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 2.7330 2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 4.4386 4.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 6.2248 4.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 5.9739 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 4.2467 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 6.6828 3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 5.3711 4.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 3.4997 2.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 3.1774 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 2.5912 5.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 1.1478 5.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 0.5050 3.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2496 2.1110 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 3.0045 4.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9019 1.3028 5.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7257 1.7805 3.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5683 2.1560 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1744 -2.2919 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9825 -3.3112 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2228 -2.0637 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 -0.3936 -3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 0.1903 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1042 1.7211 -2.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9801 2.3284 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5046 3.1885 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 1.4994 -4.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 2.5090 -4.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.1052 -3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 4.0645 -2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 2.7318 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 2.1199 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 3.8717 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 2.8705 -3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 4.5689 -3.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.6594 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 4.4648 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 3.2338 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 4.9826 -4.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 5.1216 -3.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 4.4526 -4.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 3.3060 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 2.2882 -4.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 1.5590 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 1.4337 -2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 2.0322 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 3.6327 -0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 3.5958 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 2.4639 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 4.0565 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7213 5.1119 -1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 5.0952 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6592 -1.2764 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -1.7123 2.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 -4.7485 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -5.0252 2.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 -6.9533 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -6.3182 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 -7.3063 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 -5.5961 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 -6.8389 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 -6.4548 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 -4.2119 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -4.0746 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -5.1136 -3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -5.2080 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -2.7666 -3.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -2.6508 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -3.1573 -5.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -1.6901 -4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -4.4029 -4.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 -2.9641 -5.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -2.7442 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1793 -1.5537 -3.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0358 -2.9333 -4.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -2.5184 -2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 -4.8360 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -5.1065 -3.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -4.3441 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -4.4046 -3.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.6138 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 -6.3769 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 -8.3576 -3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0152 -7.5222 -3.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -7.5052 -5.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 -8.3631 -5.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 -6.3606 -6.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3219 -5.3033 -5.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -5.8793 -8.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5426 -6.7275 -7.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 -8.0583 -8.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 -8.8364 -7.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -8.1316 -7.3342 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 1 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 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 2 0 26 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 1 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 41 42 1 0 23 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 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 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 6 78 1 0 7 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 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 1 24100 1 0 24101 1 0 28102 1 0 28103 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 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END