HMDB0047584 RDKit 3D TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) 181180 0 0 0 0 0 0 0 0999 V2000 -4.5752 2.9067 -11.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 2.8420 -9.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9679 1.5435 -9.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 1.3550 -8.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 2.5009 -8.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 2.4043 -8.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 2.3177 -7.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2849 2.3101 -6.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 3.4436 -5.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 3.2296 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 1.9150 -4.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 1.6215 -5.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 1.3984 -4.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 1.4172 -2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.0145 -2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.1322 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 0.7326 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 0.5155 1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 -0.1025 1.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 0.9923 2.2049 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 0.8448 3.5907 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0682 2.1291 4.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9108 2.9151 4.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 2.5246 4.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 1.4151 5.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 3.2905 4.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 4.3898 3.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 3.7738 2.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 4.8144 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 5.6583 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 4.8252 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 5.7397 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2509 5.0561 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 4.1056 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 4.8807 2.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9604 5.0087 3.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 4.3987 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 3.4781 4.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 2.8512 3.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 1.9473 4.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8577 1.3484 4.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4671 0.4265 5.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 -0.1619 4.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 -1.4490 3.5376 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -2.2041 3.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 -1.7704 4.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -3.5722 3.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1214 -3.7236 2.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -5.0418 2.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -4.8772 1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -6.0426 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -6.7207 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -5.9355 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -5.1709 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -4.5474 -2.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -3.6677 -3.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 -2.4638 -2.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -1.5948 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.3379 -2.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 -0.5376 -1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -1.2891 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 -1.5619 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 -0.2864 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -0.2353 2.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -0.7773 3.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -2.2189 3.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -2.5909 4.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -2.2838 6.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -3.0091 6.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2288 3.7424 -11.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 1.9800 -11.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5438 2.9653 -11.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 2.9024 -9.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 3.7292 -9.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 0.6588 -9.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 0.3505 -8.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 2.4444 -6.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 3.4850 -8.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 2.4042 -9.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 2.2421 -8.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 2.5684 -5.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 1.3126 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 4.4365 -6.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 4.1143 -4.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 1.1141 -5.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 1.7814 -3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 1.5850 -6.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 1.1809 -4.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 2.0540 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 1.7818 -2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1647 -0.2745 -2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 -0.6766 -2.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3504 -1.1948 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 0.0186 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1217 0.3529 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 1.8031 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0181 0.3443 3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 2.7865 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 2.0097 5.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 3.7193 5.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 2.5980 4.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4171 4.8140 3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 5.1476 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 3.1369 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 3.1262 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 5.4361 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 4.2720 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 6.3308 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 6.3251 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 4.2041 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 4.1352 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 6.4747 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 6.3647 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 4.4734 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 5.7689 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 3.5761 1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 3.4129 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 5.3792 3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9921 5.6166 4.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 3.7881 1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 5.2136 2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.6638 4.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7789 4.0184 4.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 2.2384 2.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 3.6450 3.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8133 2.5735 5.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 1.1952 4.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6893 0.7214 3.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5692 2.1671 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4607 0.0920 4.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5937 0.9004 6.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8656 -0.5119 5.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9322 -0.2092 5.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 0.2037 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 -3.4966 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0005 -4.3376 3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -3.5223 3.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 -2.9231 2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -5.8295 2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -5.2974 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 -3.9667 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 -4.5715 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 -5.7405 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 -6.8115 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 -7.2887 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -7.5491 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -6.6710 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 -5.2714 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -4.4512 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -5.8731 -1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -5.3794 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 -3.9587 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 -3.2970 -4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 -4.1971 -3.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 -2.7431 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -1.8549 -2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 -1.3179 -4.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -2.1735 -3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 0.2486 -3.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 0.2966 -2.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7894 0.4493 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 -1.0963 -0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 -0.6954 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 -2.2760 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -2.0740 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -2.2874 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 0.3699 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 0.3315 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 0.8970 2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -0.6315 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 -0.5580 4.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -0.1923 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 -2.8681 3.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 -2.3947 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 -2.0233 4.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 -3.6804 4.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 -2.6429 6.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 -1.2154 6.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 -2.9329 5.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 -4.0449 6.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4417 -2.5415 6.8126 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 2 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 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 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 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 1 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 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 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END