HMDB0042489 RDKit 3D TG(14:0/24:1(15Z)/16:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 7.0429 3.7506 -2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 2.8310 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 3.4890 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 4.7077 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6161 4.3231 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 5.5760 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 5.2968 1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 5.5264 2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 6.0909 3.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 5.3279 4.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 4.9908 5.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 4.1352 5.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 2.7604 4.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 2.0114 4.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 0.5921 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.0989 3.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.6654 2.7817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -1.4661 3.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 -1.9148 2.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2032 -1.8759 1.1862 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7461 -3.1937 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 -3.5539 -0.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 -3.1240 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -2.1887 -2.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -3.6430 -3.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0692 -2.8511 -3.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 -3.3231 -4.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0771 -2.5181 -4.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8794 -2.9048 -5.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1117 -2.0228 -5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 -0.5632 -6.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0275 -0.1807 -7.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7326 1.3020 -7.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 2.1573 -7.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5127 3.6140 -7.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7289 4.5455 -7.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2238 5.9685 -7.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8431 -0.7721 0.5611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 0.1175 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 -0.1346 -0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 1.3504 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.9015 -1.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 2.0988 -2.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 1.8668 -3.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 1.2084 -3.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -0.0935 -2.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 -0.7366 -2.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3447 -2.0357 -1.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1206 -1.7678 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -3.1099 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -2.7694 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 -4.0317 2.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 -3.7023 4.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -2.7734 4.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 -3.0186 5.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -4.2453 6.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -4.8832 6.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 -3.9295 6.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 -4.4420 6.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 -4.7734 5.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 -5.2866 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -6.5311 6.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 -6.9544 6.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3922 4.6201 -2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 3.1906 -3.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0372 4.0862 -2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 1.9759 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 2.4365 -1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8392 3.7673 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 2.7544 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 5.1372 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 5.4943 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 3.9159 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 3.6411 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4683 6.1938 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 6.1863 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 4.8639 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 5.2710 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 6.5956 3.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 7.0314 4.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 5.9968 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6366 4.4503 4.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 4.5383 6.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 5.9744 6.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 3.8691 6.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0472 4.6757 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 2.2267 5.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 2.8738 4.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 2.5114 3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 2.0599 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 0.5558 3.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6449 0.0754 4.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 -2.9864 2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -1.3750 3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 -1.9646 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 -4.0071 1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -3.1930 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 -3.5153 -3.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 -4.7201 -2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 -3.0584 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -1.7713 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 -4.4102 -4.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -3.2633 -5.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 -2.6820 -3.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -1.4378 -4.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 -2.7937 -6.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 -3.9513 -5.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6472 -2.2988 -6.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8142 -2.2799 -5.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3505 -0.1702 -5.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -0.0391 -6.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5323 -0.4474 -8.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 -0.7023 -7.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0346 1.5957 -6.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 1.4991 -8.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5964 1.9964 -8.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5661 1.9829 -6.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 3.8599 -6.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0055 3.8659 -8.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2947 4.3909 -6.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 4.4099 -8.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9550 6.5995 -7.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 6.3590 -6.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2343 6.0433 -7.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 1.8633 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 1.9101 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 0.4125 -2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 0.1293 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 2.6158 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 2.8597 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 1.3705 -4.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0339 2.8826 -3.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 1.0998 -4.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 1.9365 -2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 0.1605 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 -0.7987 -2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 -0.0296 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 -1.0479 -3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -2.6597 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 -2.5183 -1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.2020 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 -1.1989 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 -3.5881 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9754 -3.6925 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 -2.1776 2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -2.1803 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -4.6537 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 -4.5813 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.6606 4.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -3.1862 4.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 -1.7957 4.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 -2.1805 5.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -4.0005 7.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -5.0394 6.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -4.9506 5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 -5.8876 6.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -2.9502 6.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -3.8321 7.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -3.6904 7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 -5.3539 7.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -3.8105 4.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -5.4685 4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5055 -4.5321 5.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 -5.5674 4.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 -7.3462 6.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 -6.2588 7.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7572 -7.0669 7.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0152 -6.2131 5.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5257 -7.9309 5.8926 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 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 20 38 1 0 38 39 1 0 39 40 2 0 39 41 1 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 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 19 93 1 0 19 94 1 0 20 95 1 6 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 37124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 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 63169 1 0 M END