HMDB0044801 RDKit 3D TG(18:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 179178 0 0 0 0 0 0 0 0999 V2000 6.1063 -9.0702 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 -8.8490 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 -7.5013 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.6550 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 -6.8683 -1.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 -6.7311 -1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -7.6482 -2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -8.9511 -2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 -9.4902 -3.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 -8.9448 -4.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -7.5425 -5.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 -7.6773 -5.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0858 -7.2305 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 -6.4998 -7.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 -6.1473 -7.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -4.8926 -7.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 -3.7044 -7.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -2.8110 -6.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -1.5577 -6.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 -0.8883 -7.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 0.2193 -8.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 1.3514 -7.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 2.3741 -7.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 1.5541 -6.0432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 2.7905 -5.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 2.7249 -3.9498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8171 1.5138 -3.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 1.4386 -1.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 2.2779 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 3.0543 -1.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 2.2958 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 1.6124 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 1.7313 2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.1318 3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.2455 4.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 0.6905 5.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7673 0.7137 6.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4975 1.9878 7.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 3.1434 7.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 3.0911 8.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 2.2179 7.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 2.7288 6.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2387 1.7844 5.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 2.1535 4.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4687 3.5269 4.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 3.8753 3.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0543 3.8912 2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 3.9105 -3.3037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 4.7792 -2.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 4.4001 -2.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 6.0396 -2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 5.9104 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 7.2683 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 7.2399 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 6.3776 1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 6.4312 2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 5.7362 3.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 5.9932 2.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9873 5.4999 1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 3.9579 1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5543 3.5753 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9464 2.1692 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0143 1.0653 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7644 1.1035 -0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -0.0805 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 -1.4023 -0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5387 -2.5120 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -2.5779 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1098 -3.7623 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1977 -10.1711 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 -8.7751 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5266 -8.4688 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -9.2123 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -9.5653 0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 -7.2119 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -5.6686 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -7.7326 -2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -5.9946 -2.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -5.7484 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 -7.3657 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -9.1332 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 -9.7150 -1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1178 -10.5929 -4.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2376 -9.5262 -5.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 -6.9140 -5.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -7.0157 -4.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -8.2260 -4.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1914 -7.4402 -6.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 -7.2059 -8.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -5.6636 -7.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -6.9466 -7.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 -4.7391 -7.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 -4.0368 -7.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -3.1368 -8.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -3.2399 -5.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.9743 -5.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -1.5787 -8.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -0.3909 -7.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 -0.1888 -8.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 0.5806 -9.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 3.5881 -5.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 2.9599 -5.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 2.6176 -3.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 1.5395 -3.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 0.5745 -3.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 3.3708 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 1.8346 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 2.0089 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 0.5272 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 1.3230 2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 2.8279 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 1.5708 2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 0.0347 2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 2.2417 4.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 0.5647 4.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -0.4157 5.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 1.0817 4.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 0.0200 7.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 0.0905 6.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 2.3253 7.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 1.7482 8.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 3.5330 6.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 4.0114 7.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 4.1476 8.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 2.8418 9.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6446 2.2210 8.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 1.1985 7.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 3.7427 6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 2.8399 5.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 1.7128 6.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 0.7735 5.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0889 2.1186 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 1.4263 4.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 4.3176 4.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 3.5862 5.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 3.0663 2.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5874 4.8606 3.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 3.9839 2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 2.9549 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 4.7191 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 6.6080 -2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 6.6671 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 5.4301 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 5.2715 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 7.8508 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 7.8547 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 6.7501 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 8.2269 1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3695 5.3987 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 6.8541 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 7.5168 3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 6.0831 3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 6.0240 4.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 4.6165 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4551 5.6624 3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7759 7.1168 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3728 5.7263 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0021 5.9456 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9263 3.7389 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1694 3.5654 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4735 4.1982 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8003 3.9556 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2306 2.1033 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9587 2.0156 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5898 0.1001 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7094 0.9901 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 2.0141 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8744 1.1761 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -0.0540 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5501 -0.0670 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4303 -1.5456 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 -1.4815 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6882 -2.3750 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0522 -3.4824 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -1.6636 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -2.8516 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -4.7292 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 -3.6502 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 -3.6698 0.3243 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 2 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 26 48 1 0 48 49 1 0 49 50 2 0 49 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END