HMDB0052370 RDKit 3D TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) 187186 0 0 0 0 0 0 0 0999 V2000 4.9724 -0.1439 3.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 -0.5041 1.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7872 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -2.0208 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 -0.9398 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -1.4715 -1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -1.6372 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 -1.2868 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -2.2972 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -2.2591 -1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -1.1724 -2.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 -1.5450 -3.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 -1.5785 -4.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -1.2840 -5.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 -2.3470 -6.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -3.2143 -6.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -3.4719 -6.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -3.2448 -7.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 -4.1920 -8.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -5.6060 -7.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -6.3315 -7.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -5.7411 -6.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -6.1832 -5.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -4.7860 -5.5009 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 -4.2167 -4.2823 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9801 -4.6919 -3.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -4.5695 -1.8752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 -5.1636 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -5.7022 -1.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -5.2878 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 -6.1607 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -6.5341 1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -7.2535 2.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 -6.9772 3.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 -5.8658 4.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 -5.0411 5.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -3.7845 4.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 -2.9248 4.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -2.0628 5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 -0.7977 5.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 0.0308 4.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.6572 5.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 1.9439 5.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 2.9171 4.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 3.8634 3.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 4.6194 4.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 5.5734 3.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 6.6581 2.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 -2.8208 -4.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 -1.7821 -4.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8858 -1.5608 -3.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -2.4925 -4.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 -0.2739 -3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5626 -0.2159 -2.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 1.2864 -2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 1.7490 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 3.1458 -0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 3.4906 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 3.3435 -1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 3.6175 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 4.9589 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 5.0278 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 4.0005 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 4.0975 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 3.0087 1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 3.1153 1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 3.3879 2.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 3.6217 4.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 4.9513 4.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7827 5.4497 5.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8085 5.6455 4.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2889 6.5801 3.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3058 6.7962 1.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6848 7.7475 0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6339 8.0094 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 -0.7396 3.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8885 0.9449 3.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -0.4562 3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -0.5813 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 0.3666 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -2.6087 2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 -3.0361 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -0.0433 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.5661 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 -1.7565 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -2.0317 -2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.3333 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 -0.8841 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 -3.1905 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 -3.0561 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -0.4044 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -0.5860 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 -1.8671 -2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8055 -1.8935 -4.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 -0.3108 -5.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7495 -1.1884 -4.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -2.3382 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -3.9297 -7.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -4.3575 -5.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -2.6109 -5.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2151 -7.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.9425 -8.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 -5.7450 -6.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 -6.1489 -8.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 -7.3975 -7.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -6.2424 -8.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -4.7707 -4.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -4.2538 -3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -5.8378 -3.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 -4.3357 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -5.7025 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 -5.5927 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -7.0822 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 -5.6405 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 -7.1938 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8571 -8.1473 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -7.6271 4.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 -5.2905 4.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -6.3005 5.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -5.5685 5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -3.2745 5.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 -2.3738 3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2858 -3.4795 3.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 -2.6085 6.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -0.2285 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 0.7439 4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 -0.5951 3.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 0.0268 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 2.3757 5.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 2.5608 4.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 3.6148 5.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1915 4.6145 3.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 3.3544 2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 3.9141 4.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 5.1651 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 6.0913 4.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2758 5.0576 2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 7.1564 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 7.4865 3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 6.3086 2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 -2.5160 -4.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 -2.8911 -5.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 -0.0031 -2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.5222 -3.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -0.7125 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 -0.5871 -3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5606 1.3508 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9039 1.8976 -2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 1.7931 -2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 1.0661 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 3.8694 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 3.2711 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 2.8112 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2269 4.5524 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 3.8575 -2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 2.2271 -1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 3.4025 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 2.8374 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 5.7477 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 5.1232 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 4.9267 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 6.0223 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 4.2295 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 2.9479 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 5.0960 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7359 3.9279 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1139 3.0272 2.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 2.0172 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 2.9396 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9495 3.3942 2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 3.2346 4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 2.8759 4.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 5.7553 4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 4.9955 5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2558 4.7898 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 6.4472 5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2356 4.7181 3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7164 6.1818 4.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0704 7.5542 3.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3875 6.1799 2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2243 7.2514 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5304 5.8319 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7055 7.3226 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4496 8.7322 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9802 9.0608 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1554 7.7863 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 7.3163 -0.1018 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 2 0 28 30 1 0 30 31 1 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 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 2 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 1 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 75187 1 0 M END