HMDB0048974 RDKit 3D TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 161160 0 0 0 0 0 0 0 0999 V2000 2.7939 -6.5136 -3.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 -7.1749 -4.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5837 -7.8187 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -7.5719 -2.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 -6.6430 -2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 -5.7989 -3.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -4.4881 -3.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 -3.6190 -2.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 -2.8593 -2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4144 -2.9206 -1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 -3.7546 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -4.7538 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -4.7812 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -3.7839 1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.0835 1.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -1.9400 2.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -2.3935 4.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 -1.4166 5.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -0.5169 5.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 0.5345 4.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 1.2556 4.5542 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 0.7832 3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.7344 2.3533 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1163 1.0046 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 0.5713 1.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 1.5347 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 2.7031 1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 1.4760 1.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8626 0.6579 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9396 0.9054 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1205 0.2703 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1234 -0.6930 -1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9686 -1.3735 -2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7997 -1.3688 -3.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -0.9323 -4.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.3554 -3.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -1.3404 -3.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 -1.9484 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 -1.6840 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 -2.6682 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -3.8731 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 -4.6601 -2.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -5.9019 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -6.8538 -2.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 -8.0305 -2.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -9.0467 -3.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 2.6139 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 3.5217 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 3.1692 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 1.9398 -0.3901 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 4.0706 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 4.4263 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 5.2626 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 6.6270 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 7.2740 -1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 7.4974 -2.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 8.5903 -1.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 8.6381 -1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1606 8.5530 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1077 8.4157 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 7.1742 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5988 7.2719 2.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2487 7.5156 3.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 6.4780 2.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6219 5.1292 3.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 -6.9791 -4.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 -6.6236 -2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 -5.4524 -4.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 -6.4918 -4.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 -8.0087 -4.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 -8.6252 -2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 -8.2056 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 -7.2296 -2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8543 -5.9756 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 -6.3190 -4.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8081 -4.0049 -4.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4431 -2.8111 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.1067 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 -2.1852 -3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -2.3135 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -3.1032 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -4.3772 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -5.5454 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -5.5792 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 -3.0314 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -4.3083 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -3.8390 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -2.6417 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -1.4955 2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 -1.2173 2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 -3.0353 4.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 -3.1835 4.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -1.9934 6.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1228 -0.8149 5.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9655 -1.0895 5.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 0.0310 6.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 2.3993 2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 1.6708 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 0.1299 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 1.2239 3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 2.5599 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8828 0.9741 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 -0.4407 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 0.6805 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 2.0208 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0974 0.7116 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 -1.0525 -1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 -1.1294 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 -2.5124 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6693 -1.7876 -4.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7217 -0.9801 -5.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 0.5868 -4.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -0.0948 -2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 -1.5572 -4.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -2.6292 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -1.3270 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -0.7269 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -2.3288 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 -4.4471 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -5.1166 -2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5428 -4.2401 -2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 -6.4541 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -5.6057 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 -6.3564 -3.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -7.1983 -3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -8.4638 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -7.6295 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -8.5969 -4.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -9.7222 -3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -9.7344 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6258 3.2270 3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 2.0268 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 4.9598 -1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 3.5385 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1098 3.4366 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 4.8615 -2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 4.7320 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 5.4366 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0518 7.2757 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 6.4919 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 8.2851 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 6.7410 -2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 7.9230 -3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 6.6003 -2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 9.5631 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5846 8.3838 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 8.7599 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1541 8.5919 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7995 9.2568 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 8.6794 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 6.2580 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 7.0440 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 8.0879 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 6.3250 2.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 7.5632 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 8.5378 2.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 6.7754 3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 6.3397 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2989 4.6020 2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7448 4.5283 3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 5.3283 4.2760 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 1 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 2 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 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 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 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 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 46130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 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 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END