HMDB0052163 RDKit 3D TG(24:1(15Z)/18:2(9Z,12Z)/22:2(13Z,16Z)) 193192 0 0 0 0 0 0 0 0999 V2000 0.4060 -1.0980 5.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -1.4212 6.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 -1.3558 8.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -1.6911 9.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -0.7446 9.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 0.6214 9.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.6919 8.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 1.7217 7.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 2.0475 6.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 2.3155 5.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5453 2.3329 6.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 3.7087 6.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 4.1554 5.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 3.1984 4.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 2.9268 5.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5771 4.0893 5.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 4.7472 4.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 3.7401 3.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2216 4.3261 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 5.0347 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 5.6282 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 4.7126 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 4.1919 -2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5865 4.3324 -1.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9864 3.4548 -2.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 2.1021 -2.2058 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6624 1.2225 -3.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9474 1.7665 -4.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8821 1.1029 -5.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4945 0.0141 -5.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1094 1.5712 -6.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 0.8739 -6.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 1.4343 -5.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 0.7282 -5.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 1.3801 -3.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 2.7879 -4.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 3.5438 -2.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 4.8567 -3.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 4.8120 -3.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 3.8473 -4.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0189 -5.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 2.9527 -6.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 1.6133 -5.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 0.4700 -6.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.5790 -6.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.7645 -6.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9615 -1.9067 -5.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -3.2699 -5.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -3.7273 -6.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -5.1333 -7.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 -5.3475 -7.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -6.8302 -7.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -7.6730 -6.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 1.3807 -1.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0452 0.9488 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 1.3013 -0.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3439 0.1506 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0355 -0.0656 1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0013 -0.8295 1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 -0.7800 1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 -1.4465 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -1.2339 2.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 -1.7559 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 -1.1217 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -0.3284 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 0.0611 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -0.3556 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 -1.1611 0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -1.7577 2.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -3.2807 2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 -3.8213 1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 -3.4186 2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 -4.0448 1.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 -0.4153 4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 -2.0552 5.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4817 -0.6397 6.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -0.7499 6.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 -2.4482 6.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 -0.3696 8.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 -2.1105 8.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -1.5563 10.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -2.7414 9.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -1.0418 10.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 -0.9047 8.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 0.7497 10.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 2.6343 9.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 0.7119 7.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 2.3810 8.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 2.0841 5.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 2.5603 4.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 1.9318 7.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 1.7180 6.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 3.6133 7.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.4389 7.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 5.1317 5.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 4.2887 4.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 3.7152 3.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 2.2525 4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 2.3850 6.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 2.1584 4.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 4.9006 5.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 3.7804 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7594 5.5087 4.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 5.2354 3.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 3.2203 3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 2.9689 2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5724 3.4559 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0696 5.0141 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8003 5.8675 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 4.3942 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 6.1657 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 6.4755 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1164 3.4358 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6387 3.9062 -3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 2.1978 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7525 1.2389 -3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3879 0.1720 -3.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5537 1.2085 -7.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 2.6490 -6.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0954 1.1365 -7.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9339 -0.1959 -6.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 2.5124 -5.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 1.2934 -4.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 0.9180 -5.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -0.3506 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 1.3909 -3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 0.7390 -3.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 3.3992 -4.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 2.7720 -4.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 3.7093 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 2.8851 -2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 5.3558 -4.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 5.5363 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 4.5611 -2.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 5.8676 -4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 4.0727 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 2.8382 -4.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 3.9767 -4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 5.0019 -5.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 2.9280 -7.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 3.1071 -6.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 1.4200 -5.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 1.6863 -4.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 0.5026 -6.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9783 -1.3775 -7.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -0.9434 -7.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 0.1340 -5.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.9201 -4.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -1.7143 -4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -3.4325 -5.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 -3.9748 -4.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -3.5883 -6.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -3.0645 -7.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -5.8184 -6.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 -5.4247 -8.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -4.7892 -8.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 -5.0899 -6.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 -6.9342 -8.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 -7.1046 -8.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 -7.1442 -5.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 -7.8040 -6.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -8.6609 -6.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0426 0.6700 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7611 -0.8594 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 -0.6415 2.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 0.9153 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -0.5122 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 -1.9375 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8355 -1.3049 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 0.2665 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 -0.9208 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -2.5315 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.1435 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 -1.7090 2.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 -2.8838 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -1.5762 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -1.3594 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 0.0705 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 1.2192 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 -0.1877 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 0.0675 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -1.4228 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9468 -1.4677 2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -1.4565 2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 -3.6031 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -3.6847 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 -3.5681 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 -4.9292 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4549 -3.8608 3.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 -2.3206 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7747 -3.8562 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8467 -5.1191 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -3.4789 2.1645 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 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 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 20109 1 0 20110 1 0 21111 1 0 21112 1 0 25113 1 0 25114 1 0 26115 1 1 27116 1 0 27117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 33123 1 0 34124 1 0 34125 1 0 35126 1 0 35127 1 0 36128 1 0 36129 1 0 37130 1 0 37131 1 0 38132 1 0 38133 1 0 39134 1 0 39135 1 0 40136 1 0 40137 1 0 41138 1 0 41139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 44144 1 0 45145 1 0 46146 1 0 46147 1 0 47148 1 0 47149 1 0 48150 1 0 48151 1 0 49152 1 0 49153 1 0 50154 1 0 50155 1 0 51156 1 0 51157 1 0 52158 1 0 52159 1 0 53160 1 0 53161 1 0 53162 1 0 57163 1 0 57164 1 0 58165 1 0 58166 1 0 59167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 61172 1 0 62173 1 0 62174 1 0 63175 1 0 63176 1 0 64177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 73193 1 0 M END