HMDB0046596 RDKit 3D TG(22:0/22:1(13Z)/22:2(13Z,16Z)) 203202 0 0 0 0 0 0 0 0999 V2000 8.3139 -7.1716 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5128 -6.6017 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 -5.1746 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -4.2584 1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 -4.1670 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -3.7034 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -2.6384 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.7041 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -0.3770 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 0.6760 1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 0.8201 1.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 1.3234 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 1.6274 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 2.0825 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 2.5411 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 1.7073 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 0.4370 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -0.2300 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -1.5410 -1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 -2.1541 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 -3.4625 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 -4.5953 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -5.7676 -1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 -4.4654 -0.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 -5.3883 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -4.4205 0.1887 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8493 -3.7313 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -2.8130 2.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -2.9012 2.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4722 -3.9631 2.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 -1.7973 3.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 -0.7016 3.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5017 0.3654 4.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 1.0484 4.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9865 2.1916 5.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 3.2627 5.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 4.4267 6.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 5.5254 6.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 5.0877 6.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 6.2386 5.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 6.2461 5.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5518 6.1667 6.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9214 5.1256 7.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9196 4.7103 8.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 3.7326 9.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 3.3420 10.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 2.6329 10.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 2.2798 11.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2826 1.5672 10.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 1.2101 11.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 0.4825 11.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -3.8612 -1.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -4.2034 -1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -5.0035 -1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -3.8286 -3.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -3.5522 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 -2.2696 -3.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -1.1135 -3.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 0.1319 -3.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 1.4260 -4.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 1.6663 -5.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 0.9352 -5.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 1.1690 -7.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 0.6867 -8.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 0.9226 -9.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 0.4287 -10.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.5314 -11.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 -1.2618 -11.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 -1.0806 -13.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -1.8143 -13.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -1.3727 -12.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -2.1913 -13.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3499 -1.7831 -12.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 -1.9837 -11.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5455 -1.5385 -10.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 -6.8549 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 -6.8940 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 -8.2918 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 -7.1784 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4296 -6.6934 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 -4.7578 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0403 -5.1824 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3266 -4.6308 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 -3.2381 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 -5.2518 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 -3.6910 2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -4.3498 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 -2.4233 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -2.1199 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -1.6699 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 -0.3250 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 1.6381 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 -0.0593 2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 1.6762 2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 2.1842 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 0.4739 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6637 2.4495 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 0.6967 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9225 2.9509 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 1.2914 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 3.0271 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 3.4757 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 2.3203 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 1.4826 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 0.5905 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 -0.2575 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 0.4328 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.3793 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 -2.2099 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -1.2660 -2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1263 -1.4210 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 -2.1018 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8281 -3.3699 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7285 -3.6919 -0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 -6.1630 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 -5.7989 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -5.1661 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -4.6025 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -3.2845 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -2.2416 4.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -1.4410 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7567 -1.1888 4.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -0.3313 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 1.0824 4.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5062 -0.1285 5.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6504 0.3504 4.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9763 1.4590 3.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 2.5873 5.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.7943 6.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 2.8185 5.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 3.6324 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 4.8113 6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 4.0504 7.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 6.3445 6.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 5.9239 5.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 4.8733 7.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 4.2471 5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 7.1614 6.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 6.5648 4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 7.2037 5.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7898 5.4606 4.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5833 6.4076 6.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5452 7.1999 7.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8509 5.4117 8.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3251 4.1878 7.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1874 4.0551 8.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4136 5.5194 9.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 4.3602 10.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 2.8725 9.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 2.7907 11.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 4.3087 11.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 3.2934 9.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 1.6745 9.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 3.2324 11.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9941 1.6064 12.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5676 0.6441 10.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 2.1960 10.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 2.1327 12.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 0.5427 12.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 1.1958 11.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 -0.0421 10.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2682 -0.2586 12.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -2.9288 -3.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 -4.6048 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -3.5614 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -4.4455 -3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6131 -2.1715 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 -2.0619 -1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -1.0565 -3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -1.3380 -4.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 0.0178 -3.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 0.2010 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 2.1766 -3.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 1.8567 -3.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 1.4923 -6.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 2.7651 -5.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 1.3630 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 -0.1327 -5.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 0.5517 -7.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 2.2150 -7.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -0.4326 -8.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.1522 -8.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 2.0539 -9.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 0.4913 -9.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 0.9137 -10.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 -0.7861 -11.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0976 -1.0586 -11.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 -2.3570 -11.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.5359 -13.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 -0.0282 -13.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -2.9173 -13.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 -1.6518 -14.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 -0.3114 -13.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7173 -1.4986 -11.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 -3.2678 -13.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2287 -1.9926 -14.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6134 -0.7432 -12.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1652 -2.4472 -12.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 -1.3743 -10.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 -3.0413 -10.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -2.3417 -10.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -0.7104 -11.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 -1.1054 -9.4525 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 2 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 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 1 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 26 52 1 0 52 53 1 0 53 54 2 0 53 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 3 82 1 0 4 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 12 96 1 0 13 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 15102 1 0 16103 1 0 16104 1 0 17105 1 0 17106 1 0 18107 1 0 18108 1 0 19109 1 0 19110 1 0 20111 1 0 20112 1 0 21113 1 0 21114 1 0 25115 1 0 25116 1 0 26117 1 1 27118 1 0 27119 1 0 31120 1 0 31121 1 0 32122 1 0 32123 1 0 33124 1 0 33125 1 0 34126 1 0 34127 1 0 35128 1 0 35129 1 0 36130 1 0 36131 1 0 37132 1 0 37133 1 0 38134 1 0 38135 1 0 39136 1 0 39137 1 0 40138 1 0 40139 1 0 41140 1 0 41141 1 0 42142 1 0 42143 1 0 43144 1 0 43145 1 0 44146 1 0 44147 1 0 45148 1 0 45149 1 0 46150 1 0 46151 1 0 47152 1 0 47153 1 0 48154 1 0 48155 1 0 49156 1 0 49157 1 0 50158 1 0 50159 1 0 51160 1 0 51161 1 0 51162 1 0 55163 1 0 55164 1 0 56165 1 0 56166 1 0 57167 1 0 57168 1 0 58169 1 0 58170 1 0 59171 1 0 59172 1 0 60173 1 0 60174 1 0 61175 1 0 61176 1 0 62177 1 0 62178 1 0 63179 1 0 63180 1 0 64181 1 0 64182 1 0 65183 1 0 65184 1 0 66185 1 0 67186 1 0 68187 1 0 68188 1 0 69189 1 0 69190 1 0 70191 1 0 70192 1 0 71193 1 0 71194 1 0 72195 1 0 72196 1 0 73197 1 0 73198 1 0 74199 1 0 74200 1 0 75201 1 0 75202 1 0 75203 1 0 M END