HMDB0052010 RDKit 3D TG(24:1(15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) 203202 0 0 0 0 0 0 0 0999 V2000 6.3066 -4.3450 6.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 -3.0559 6.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 -2.2779 5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -1.0890 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 -0.2357 5.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -0.6468 7.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 -0.1245 8.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 1.0741 8.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 2.1014 8.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 3.2868 8.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 3.7165 7.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 3.9648 5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 3.7985 5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 3.3049 5.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 4.4122 5.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 4.1992 5.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 2.9986 4.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 2.3620 4.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 3.1277 4.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 4.2286 5.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6332 4.9900 5.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 5.6490 3.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 6.9029 3.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1085 5.0639 2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 5.6852 1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 4.6416 0.2646 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6959 5.1670 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 5.4844 -0.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 5.9669 -1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 6.1303 -2.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 6.2829 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 6.5230 -2.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 5.4833 -3.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 4.5427 -3.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 3.4318 -3.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 2.4491 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 1.4013 -1.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 0.3040 -1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -0.4276 -2.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 -1.4792 -2.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -2.2743 -3.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 -3.1434 -4.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 -2.7694 -5.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -2.0898 -5.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -0.9085 -5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -0.0488 -6.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 0.2466 -7.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3885 0.9380 -7.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 2.2520 -7.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 3.0030 -7.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 2.2418 -6.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 3.1112 -6.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 2.4256 -5.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 4.0945 -0.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 2.7636 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 2.2300 1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2704 2.0438 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 1.0687 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 0.0672 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 -1.1135 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 -1.1723 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -1.1570 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7156 -2.3561 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5647 -3.6311 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4839 -4.8350 -0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 -6.1206 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 -6.4092 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 -6.3442 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 -4.9933 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 -4.9697 0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -5.8189 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -5.5877 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -6.4830 -2.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -7.9202 -2.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 -8.8973 -3.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 -8.9096 -2.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -7.6743 -3.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 -5.0786 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -4.1650 6.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 -4.8320 5.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 -3.4828 7.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4545 -2.5699 7.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4235 -2.7805 5.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 -0.6840 4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 0.2013 5.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7098 0.7309 6.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 -1.5332 6.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 -0.5966 8.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 0.8564 9.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 1.3602 8.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8713 9.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 3.9542 8.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7194 3.1512 7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 4.7541 7.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 4.3576 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 4.0557 4.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 2.9038 6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 2.4095 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 5.3939 6.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 5.1210 4.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 3.2958 3.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 2.1641 4.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7574 2.0787 5.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.3706 4.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 2.3877 4.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 3.5001 3.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 4.9362 5.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 3.7926 6.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 4.2412 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 5.7700 5.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 6.5535 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6644 6.0980 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 3.8201 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 4.5163 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 6.1661 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 5.4892 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 7.1946 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 6.9944 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 7.4662 -2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 6.0113 -4.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 4.8941 -2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 4.0268 -4.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4356 5.0350 -4.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 2.7838 -3.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 3.5796 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 2.0916 -3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 2.9899 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 0.9880 -2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 1.8845 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 -0.3878 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 0.7762 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 0.2436 -3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 -0.9313 -2.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 -0.9968 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 -2.2255 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -2.9029 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 -1.6036 -3.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 -3.8546 -4.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -3.9498 -3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -2.2263 -6.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -3.7638 -5.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -2.5687 -4.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 -0.5057 -5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 0.9161 -5.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2952 -0.5057 -6.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 -0.7528 -8.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4506 0.8142 -8.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 1.1446 -8.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6401 0.2695 -7.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 2.1820 -6.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 2.8740 -7.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1496 3.1613 -8.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 3.9632 -6.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 1.9701 -5.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 1.2895 -6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 3.2768 -7.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 4.1046 -5.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 2.0416 -4.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 3.2037 -5.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 1.6447 -6.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8896 2.7870 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8395 1.6193 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6129 0.7200 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 1.7766 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 0.6113 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2379 -0.3441 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2314 -2.0371 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1329 -1.4147 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 -0.2441 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 -1.9938 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2074 -1.3645 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8523 -0.2576 0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1493 -2.2667 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8008 -2.2988 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5464 -3.8120 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8202 -3.5921 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 -4.8487 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -4.7194 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4328 -6.4162 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 -6.9238 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6023 -7.5054 1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 -5.8824 2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -6.7258 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 -7.0646 0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 -4.4681 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 -4.3677 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 -5.2632 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 -3.9088 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 -5.6665 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -6.8993 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 -5.8768 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -4.5313 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6638 -6.2056 -3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 -6.2192 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -8.1791 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 -8.1344 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -8.7946 -4.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -9.9269 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 -9.1791 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -9.7925 -3.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -7.0522 -4.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -7.9699 -3.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -7.1096 -2.4356 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 1 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 1 0 29 30 2 0 29 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 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 26 54 1 0 54 55 1 0 55 56 2 0 55 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 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 1 27114 1 0 27115 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 38131 1 0 39132 1 0 39133 1 0 40134 1 0 40135 1 0 41136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 50152 1 0 50153 1 0 51154 1 0 51155 1 0 52156 1 0 52157 1 0 53158 1 0 53159 1 0 53160 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 70187 1 0 70188 1 0 71189 1 0 71190 1 0 72191 1 0 72192 1 0 73193 1 0 73194 1 0 74195 1 0 74196 1 0 75197 1 0 75198 1 0 76199 1 0 76200 1 0 77201 1 0 77202 1 0 77203 1 0 M END