HMDB0043369 RDKit 3D TG(15:0/24:1(15Z)/20:0) 186185 0 0 0 0 0 0 0 0999 V2000 -5.5264 -10.1300 -5.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -9.9180 -4.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7572 -8.5097 -4.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 -8.1252 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -8.2774 -2.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -7.8696 -1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -6.4456 -2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -5.9252 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -4.5200 -2.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 -3.4488 -1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 -3.4735 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -2.8141 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 -2.7886 2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -2.0363 2.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -1.9048 4.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -1.0963 4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 0.2896 4.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6624 1.0500 4.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 2.3703 3.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 3.3065 4.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4977 4.6093 3.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 4.4233 1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 5.7101 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 5.3727 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 4.1472 -0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 6.2587 -1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 5.7458 -2.6422 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9987 6.3936 -3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 6.4051 -3.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 5.2571 -3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5143 4.1493 -3.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 5.1479 -2.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 3.7821 -2.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 3.6758 -2.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8432 2.4075 -1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3387 2.2867 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7615 1.0737 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 -0.2283 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7339 -1.2763 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -2.6514 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 -3.6518 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2174 -5.0169 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7596 -6.0272 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4892 -5.7235 2.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -6.8079 3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 5.6681 -3.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 4.8912 -2.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 4.3751 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9545 4.5859 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7096 3.6157 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 2.1928 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 1.2115 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 1.4451 -3.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 0.3577 -3.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 0.1521 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 1.2678 -2.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 0.9388 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 0.9405 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 0.4197 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 0.3740 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 1.6533 2.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 2.4116 1.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 3.6401 2.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 4.7166 2.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1337 5.8484 3.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 6.9895 3.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 7.6541 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 8.8144 1.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0202 -9.1383 -5.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 -10.8472 -4.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3773 -10.4990 -6.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 -10.1653 -3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 -10.6274 -4.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 -8.3851 -5.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 -7.7996 -4.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -8.8108 -4.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -7.1069 -4.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 -9.3563 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -7.6238 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -8.5863 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3296 -8.0822 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 -5.8203 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -6.3146 -3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 -6.5028 -2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -6.1186 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 -4.3896 -3.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 -2.4751 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4174 -2.8058 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -4.4877 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -1.8008 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 -3.4376 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -2.3810 2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 -3.8453 2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -1.0910 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -2.6513 2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 -2.9111 4.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -1.4865 4.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 -1.0196 5.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 -1.5844 4.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7534 0.8393 4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 0.2622 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 0.4779 4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 1.1104 5.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 2.1343 2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 2.8256 4.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 3.5788 5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6851 2.8352 3.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6358 5.1241 3.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4034 5.2554 3.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2457 3.9499 1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 3.8354 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 6.3900 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 6.2777 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 4.6163 -2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 5.9071 -4.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 7.4581 -3.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 5.9771 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 5.3242 -3.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 3.5489 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5846 3.0442 -3.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 4.5741 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 3.6273 -3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 1.5770 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 2.1771 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7852 2.1722 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 3.1652 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8857 1.0125 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5735 1.1930 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0938 -0.1923 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4396 -0.4867 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8451 -1.2176 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4369 -0.9518 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 -2.9821 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 -2.7190 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8787 -3.7138 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -3.3039 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4655 -5.3711 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -5.0355 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -6.1952 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -7.0476 1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9619 -4.7459 2.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 -5.6234 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8226 -7.4400 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4623 -6.3351 4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -7.4828 3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 6.6641 -3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 5.1234 -4.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 3.6560 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 4.1555 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 2.1343 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 1.8730 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 1.1722 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 0.1995 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 2.4466 -3.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 1.3580 -3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 0.6178 -4.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -0.6077 -3.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 -0.7643 -3.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -0.1348 -1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 2.2219 -2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 1.3977 -3.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 1.5941 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 -0.1132 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 2.0173 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 0.3741 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.0799 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 -0.5927 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 -0.1357 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 -0.2471 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 2.2944 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 1.4167 3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 1.7330 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 2.6351 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 3.3217 3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 4.0933 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 4.3275 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 5.1005 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 6.1327 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 5.4175 4.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 6.6171 3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 7.7824 4.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2261 8.0902 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 6.9583 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 9.7973 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 8.7936 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 8.7605 2.7797 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 1 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 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 42 43 1 0 43 44 1 0 44 45 1 0 27 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 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 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 12 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 15 97 1 0 16 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 19105 1 0 20106 1 0 20107 1 0 21108 1 0 21109 1 0 22110 1 0 22111 1 0 23112 1 0 23113 1 0 27114 1 1 28115 1 0 28116 1 0 32117 1 0 32118 1 0 33119 1 0 33120 1 0 34121 1 0 34122 1 0 35123 1 0 35124 1 0 36125 1 0 36126 1 0 37127 1 0 37128 1 0 38129 1 0 38130 1 0 39131 1 0 39132 1 0 40133 1 0 40134 1 0 41135 1 0 41136 1 0 42137 1 0 42138 1 0 43139 1 0 43140 1 0 44141 1 0 44142 1 0 45143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 59167 1 0 60168 1 0 60169 1 0 61170 1 0 61171 1 0 62172 1 0 62173 1 0 63174 1 0 63175 1 0 64176 1 0 64177 1 0 65178 1 0 65179 1 0 66180 1 0 66181 1 0 67182 1 0 67183 1 0 68184 1 0 68185 1 0 68186 1 0 M END