HMDB0042397 RDKit 3D TG(14:0/20:1(11Z)/24:0) 183182 0 0 0 0 0 0 0 0999 V2000 7.5715 -2.5237 -2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 -1.9613 -4.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.5036 -5.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 -0.9490 -6.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 0.2603 -6.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1416 0.8146 -7.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 1.9985 -7.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9607 3.2090 -6.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 4.2836 -6.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 4.8690 -5.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 4.5503 -4.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 5.8602 -3.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 6.8971 -3.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 6.4314 -2.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 6.2368 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 5.6759 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 5.4851 1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 4.8256 1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 4.5684 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 3.7977 3.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 4.3092 4.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 2.4321 3.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 1.5377 3.7651 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0213 0.9117 2.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 0.1367 2.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 -0.4524 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 -0.2726 0.2348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 -1.2495 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 -2.1176 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5681 -2.8734 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6452 -2.2337 -1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -1.1371 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5225 -0.6384 -1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2322 0.4752 -1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3253 1.6706 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1211 2.7985 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2341 3.9866 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 3.7239 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 4.9965 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0508 4.6674 1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 0.5703 4.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 -0.1987 4.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 0.0892 4.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 1.3398 4.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -0.8230 3.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 -0.2327 2.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 -0.2202 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -1.6405 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 -1.6450 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 -1.5132 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 -2.7214 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -3.4582 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.7531 2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -3.7209 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 -4.9410 3.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4606 -4.6863 4.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 -6.0184 4.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 -6.0372 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -5.1478 4.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 -5.1323 3.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4582 -4.1996 3.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2678 -4.1185 2.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4801 -3.2338 2.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3702 -3.1003 1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5735 -2.2523 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5234 -2.0617 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7171 -1.2039 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1612 -1.7727 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.4302 -3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7552 -2.8343 -2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 -2.7476 -4.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -1.1365 -3.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 -0.7749 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -2.3828 -5.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 -1.7283 -6.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4309 -0.6820 -7.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.0710 -5.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2557 1.0120 -5.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 1.0150 -8.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -0.0456 -7.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 2.3638 -8.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 1.7432 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 2.9613 -5.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7082 3.5232 -7.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 4.5690 -7.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 5.6650 -5.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 3.8201 -4.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 4.2237 -3.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 5.7068 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 6.2085 -4.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3383 7.2836 -4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2028 7.7740 -2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 5.6085 -2.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 7.3125 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 5.6007 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 7.2548 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 6.4302 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6373 4.7474 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 6.4454 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 4.8576 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 5.3491 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 3.7906 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 5.5171 3.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 3.9563 3.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 2.1726 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 1.7215 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 0.2291 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -0.6948 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8694 -1.9659 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8135 -1.5897 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 -2.9144 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -3.6674 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -3.4970 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 -3.0638 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -1.9064 -2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 -1.4672 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 -0.2569 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 -0.3396 -2.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1859 -1.4862 -2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 0.1591 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0832 0.8464 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5846 1.3821 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 2.0667 -1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4667 2.5041 0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0324 3.0189 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7891 4.8901 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 4.2516 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3635 2.9892 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3751 3.4198 1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 5.3305 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 5.8028 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 4.6650 2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 5.3987 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 3.6670 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 -0.1782 4.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 1.0705 5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -1.8687 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 -0.8174 4.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4545 0.7483 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -0.9001 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 0.3749 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 0.2458 1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -1.9069 0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 -2.3929 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -2.6316 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 -0.8936 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -0.6397 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0907 -1.1917 -1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8632 -3.4718 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 -2.5774 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -4.3044 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 -4.0219 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -2.5483 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9968 -1.8726 2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -3.9342 3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -3.1450 4.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 -5.5577 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -5.6097 4.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -3.8851 3.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 -4.4169 5.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -6.7366 4.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 -6.4209 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 -7.1174 4.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -5.9229 6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 -5.4426 5.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 -4.0875 5.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 -4.6376 2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 -6.1290 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 -4.5552 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 -3.1721 3.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 -3.5984 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6356 -5.0993 1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1888 -2.2378 2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0918 -3.7218 3.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 -4.0922 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8295 -2.6835 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1595 -2.8045 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2375 -1.2747 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9337 -3.0091 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0631 -1.5212 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4031 -0.6717 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9996 -0.4847 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5881 -1.8696 1.2374 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 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 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 1 24106 1 0 24107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 40134 1 0 41135 1 0 41136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 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 67183 1 0 M END