HMDB0049928 RDKit 3D TG(18:1(9Z)/20:1(11Z)/20:2n6) 177176 0 0 0 0 0 0 0 0999 V2000 3.0100 -2.3341 4.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -1.1890 3.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -0.5377 2.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 0.5926 1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 1.3143 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 2.3833 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 2.5126 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 1.6193 -2.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 1.0192 -3.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -0.2515 -3.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 -1.2862 -2.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -2.1234 -3.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -2.8607 -4.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 -3.8869 -4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -4.6710 -5.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 -5.7239 -4.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -5.3821 -4.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 -4.5945 -4.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9228 -4.3680 -3.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 -3.6615 -4.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -4.4000 -4.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 -2.3080 -4.5743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -1.7374 -5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -0.1865 -5.0838 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2188 0.1151 -6.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 1.4489 -6.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 2.4835 -6.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9096 2.3292 -6.4739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 3.9060 -6.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 4.3606 -4.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 5.7474 -4.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 6.2576 -3.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3579 7.6081 -2.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 8.1167 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 7.1501 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4989 6.9413 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 7.1939 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 7.7142 1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 6.6651 2.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 7.1093 3.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 6.1030 4.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 4.7462 4.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 4.5085 5.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 4.9956 4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 4.6156 4.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 0.1822 -3.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 0.8662 -2.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8688 1.2332 -3.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 1.1967 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 0.8548 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 1.1747 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 0.8003 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 -0.6643 -0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 -1.4396 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 -2.9267 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7657 -3.5219 1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -5.0384 1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 -5.4255 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6605 -6.0575 1.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -6.5162 3.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 -8.0004 3.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 -8.5033 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 -7.8736 5.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 -8.3983 6.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 -7.7391 7.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3296 -8.0078 6.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -7.3080 7.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -3.0334 4.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 -2.8488 3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -2.0113 5.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 -0.4327 3.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -1.4857 2.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -1.3168 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 -0.1246 3.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 0.2129 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5862 1.3132 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 1.8000 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 0.6308 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 3.1192 0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 3.3868 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 0.8955 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 2.2797 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.7725 -3.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -0.5760 -4.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -0.9405 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -1.9984 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 -1.4504 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 -2.8353 -2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 -3.4171 -5.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 -2.1950 -5.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 -3.3605 -3.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -4.6176 -3.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -3.8906 -5.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -5.0720 -5.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -6.3721 -5.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 -6.4527 -4.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4197 -4.8501 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 -6.3425 -3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 -5.1576 -5.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -3.6279 -5.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 -3.7238 -3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 -5.3183 -3.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -1.9884 -6.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 -2.0420 -4.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 0.1866 -5.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -0.1790 -7.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.5088 -5.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 3.8613 -6.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 4.5854 -6.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 3.6947 -3.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4609 4.3598 -4.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 5.7116 -4.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 6.3988 -5.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 5.5523 -2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 6.2622 -2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 8.3715 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 7.5525 -3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 9.1011 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 8.1932 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 7.6102 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 6.1605 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 6.5439 -1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 6.9793 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 7.8987 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 8.6318 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 6.4082 2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 5.7665 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 7.4961 4.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 8.0202 4.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 6.0641 4.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 6.5526 5.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 4.1608 5.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 4.1785 3.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 3.3888 5.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 5.0091 6.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 4.4335 3.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 6.0417 3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 4.2205 3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 3.8332 5.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8678 5.5118 5.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 0.6029 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 2.2654 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 -0.2368 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 1.3945 -2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 0.6169 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 2.2852 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 1.1471 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 1.4318 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -0.7689 -1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 -1.0069 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 -1.0371 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -1.3068 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 -3.3297 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5589 -3.1762 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 -3.0709 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -3.3357 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 -5.4245 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -5.4732 2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -5.1569 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 -6.2925 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -6.0604 3.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -6.1411 3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 -8.5210 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -8.3212 2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -8.1553 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 -9.6015 4.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -6.7748 5.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -8.1482 4.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -9.4963 6.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 -8.1718 7.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -8.1235 8.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 -6.6608 7.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 -7.6314 5.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 -9.1032 6.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -6.7008 8.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 -6.5509 7.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 -7.9992 8.1011 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 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 2 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 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 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 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 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 6 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END