HMDB0047257 RDKit 3D TG(24:0/18:1(9Z)/20:3n6) 189188 0 0 0 0 0 0 0 0999 V2000 7.1394 2.2114 -4.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1203 3.2632 -3.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0963 2.5512 -2.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 3.5743 -2.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 2.9209 -1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 3.9408 -1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 4.3301 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 3.7674 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 4.9370 1.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 5.2059 3.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 4.3933 3.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 5.0946 4.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 5.2401 5.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 4.6874 6.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 3.6674 7.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6043 2.4197 6.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 2.5734 5.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 1.2069 5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 1.0910 4.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 1.9649 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 2.9905 3.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 1.6997 2.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 2.5364 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 1.8680 0.3145 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1308 0.4656 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 0.3883 -0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 0.7548 -2.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0856 1.2364 -2.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 0.6420 -3.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 1.8323 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 1.9302 -1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 0.6987 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 0.7106 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 0.5046 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -0.8395 1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 -1.9947 1.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -2.3581 1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -2.7182 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 -2.9567 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 -4.0955 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -4.3572 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7751 -3.1742 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -3.4009 0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 -2.2939 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7984 -0.9930 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 0.1270 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3533 1.4273 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2116 2.5491 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9276 3.8545 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 4.9818 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4716 6.2880 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 2.5884 -0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3109 2.8986 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2502 2.5063 -0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5605 3.6960 -2.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8161 3.0931 -3.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 1.6261 -3.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6393 0.9105 -4.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3216 -0.5415 -4.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1308 -1.2700 -3.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7764 -2.7568 -3.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5116 -2.8853 -3.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4524 -3.4703 -3.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4496 -4.0616 -2.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1138 -5.5605 -2.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 -5.7615 -2.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -7.2570 -2.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0372 -7.4580 -3.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6259 -8.9163 -3.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 -8.9795 -3.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 -8.1468 -2.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3353 1.4703 -3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 1.6325 -5.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1179 2.6549 -4.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 4.0504 -3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 3.6943 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0509 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 1.7544 -3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 4.3920 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 3.9346 -3.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 2.0716 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 2.4344 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 4.4584 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 5.0971 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 3.1946 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 3.1538 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 5.5331 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 6.0880 3.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 3.3880 3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 4.0920 4.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 5.5531 3.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 5.7994 5.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 5.6285 7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 4.5042 6.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 3.3700 8.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 4.1178 7.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 1.9418 6.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 1.6309 7.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 2.8514 6.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 3.2713 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1872 0.5295 6.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 0.8201 4.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 0.0054 4.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 1.2712 5.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 2.8564 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 3.5015 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5244 1.6632 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0547 -0.0752 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 -0.0293 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 0.7070 -4.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -0.3268 -3.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 1.7397 -3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 2.7815 -3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 2.8000 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 2.0592 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 0.8033 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 -0.1883 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 0.0596 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 1.8087 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.6946 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 1.2517 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7616 -0.8105 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -1.0568 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -2.9399 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -1.7750 2.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.7692 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -3.3823 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 -3.7456 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -2.0820 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -1.9942 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 -3.2086 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 -5.0085 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -3.9362 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 -5.2637 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -4.5640 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5289 -3.0519 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4449 -2.2439 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 -3.6222 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5243 -4.3250 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -2.1849 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 -2.5190 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8752 -1.0337 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 -0.7278 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 0.2266 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 -0.1850 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 1.2950 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2934 1.7062 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 2.2686 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0566 2.6537 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 4.1536 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1638 3.8056 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 5.1231 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8492 4.7334 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 6.7108 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 6.0891 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 7.0251 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7530 4.7494 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6948 3.5924 -3.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7004 3.1799 -2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9887 3.6188 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6220 1.5544 -4.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3621 1.1520 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9476 1.4376 -5.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5847 0.9117 -3.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1666 -0.9557 -4.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3690 -0.5924 -4.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0353 -1.1698 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2729 -0.7806 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5892 -3.1458 -3.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9112 -3.2622 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4312 -2.4658 -4.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5171 -3.5301 -4.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 -3.6068 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3426 -3.9456 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -6.1382 -2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0876 -5.9280 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -5.1871 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7151 -5.4027 -3.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -7.5953 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1158 -7.8055 -3.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 -7.1220 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -6.8860 -2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -9.3480 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -9.4650 -3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 -8.5716 -4.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -10.0140 -3.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 -8.2934 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -7.0823 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 -8.5506 -2.9602 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 2 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 1 0 27 28 2 0 27 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 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 24 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 2 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 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 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 0 23106 1 0 24107 1 1 25108 1 0 25109 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 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 48148 1 0 48149 1 0 49150 1 0 49151 1 0 50152 1 0 50153 1 0 51154 1 0 51155 1 0 51156 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 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 71189 1 0 M END