HMDB0049160 RDKit 3D TG(18:1(11Z)/20:0/22:1(13Z)) 187186 0 0 0 0 0 0 0 0999 V2000 5.1910 6.5639 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 5.6129 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 6.1364 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 7.4951 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 8.1358 -2.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 7.3686 -3.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 7.1854 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 6.0366 -2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 4.6820 -2.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 4.0387 -3.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 2.6944 -4.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 2.3312 -4.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 2.2021 -4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 1.0214 -3.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 0.8731 -2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -0.2978 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 -0.3476 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -1.5943 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -2.5312 -0.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -1.9025 1.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 -3.1899 1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 -3.4296 3.3637 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5077 -2.8081 4.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -2.7994 3.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -2.3826 4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -2.0509 5.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -2.3806 3.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -1.1313 2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4327 0.1587 3.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5636 0.7208 4.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 0.9997 4.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 2.0114 3.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 2.1294 3.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 3.1571 2.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 3.2086 2.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 4.2631 1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 4.3347 1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 3.1173 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 2.9767 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1936 4.1444 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 4.3619 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5625 3.2348 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6324 3.0238 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5851 1.8837 -1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 1.7425 -3.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3567 1.4630 -4.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 0.1916 -3.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 -3.2944 3.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 -4.2937 4.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -5.4228 4.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 -4.0817 5.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -5.2803 5.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 -6.3730 4.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -7.2448 3.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 -6.7305 2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -6.1626 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -7.2038 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 -6.5873 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 -5.4076 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1341 -4.7878 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 -4.3502 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 -3.3274 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 -2.8669 -1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 -4.0460 -2.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -3.6320 -3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -2.6398 -3.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -2.2266 -5.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 -3.4189 -5.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -3.0237 -7.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 7.3879 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8488 7.0069 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 6.0320 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 5.4801 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 4.6584 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 6.1650 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 5.4303 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 7.4152 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 8.1254 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 8.2838 -3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 9.1788 -2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2501 8.0563 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 6.4853 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 8.1277 -2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 6.0417 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 4.0403 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 4.8704 -3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 4.7603 -4.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 4.0944 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 1.9643 -3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.4277 -4.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 3.1460 -5.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 1.4114 -5.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 1.8599 -5.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.0462 -3.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 0.0945 -3.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 1.2061 -2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 0.7545 -3.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 1.7818 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -0.3931 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -1.2666 -2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 0.5019 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 -0.1779 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 -3.9473 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 -3.4242 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 -4.5600 3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 -1.7753 4.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -3.3737 5.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 -2.6109 4.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0438 -3.2328 2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -1.1341 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 -1.2589 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 0.9548 2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4949 0.1404 3.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 1.8048 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6954 0.3405 5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 0.0834 3.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 1.3690 5.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2845 2.9979 3.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 1.6672 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 1.1092 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 2.3320 4.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0079 3.0107 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1126 4.1512 2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 2.2143 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 3.4481 3.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 5.2501 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 4.0189 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 4.4300 2.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 5.2456 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 2.1757 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 2.0057 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 5.0785 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 3.9074 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 5.3014 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 4.5383 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5911 3.4905 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2161 2.3148 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 2.6981 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8959 3.9401 -2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6082 2.1811 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2725 0.9488 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0807 2.7003 -3.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3529 0.9014 -3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6205 2.2948 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5045 1.4250 -5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 0.1965 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 -0.0317 -2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1238 -0.6608 -4.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -3.3874 6.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 -3.4964 4.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -4.9416 6.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 -5.7581 6.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -7.1141 5.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9852 -5.9433 4.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 -7.6653 4.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 -8.1858 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -7.5475 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2894 -5.9504 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -5.8843 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 -5.2780 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -8.0779 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6454 -7.4796 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 -6.4407 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -7.4206 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4452 -5.6974 2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 -4.6278 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5838 -3.9084 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9371 -5.5399 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4539 -5.1908 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5241 -3.8001 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 -2.4047 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 -3.5812 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 -2.0553 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -2.5015 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -4.5595 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -4.7988 -2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 -3.2861 -4.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -4.5575 -4.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 -1.7135 -3.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -3.0927 -3.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.4902 -5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -1.7452 -5.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -3.9603 -5.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -4.0964 -6.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -3.5592 -7.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -3.2160 -8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.9348 -7.1413 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 37 38 1 0 38 39 2 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 45 46 1 0 46 47 1 0 22 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 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 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 6 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 47148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 68184 1 0 69185 1 0 69186 1 0 69187 1 0 M END