HMDB0052184 RDKit 3D TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) 181180 0 0 0 0 0 0 0 0999 V2000 3.5147 2.5596 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 2.7586 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 2.9335 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 2.1490 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 0.9699 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 1.2163 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 0.4873 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 -0.7198 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -2.0131 -1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 -2.3691 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 -1.4817 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 -1.9927 2.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 -2.3051 3.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -2.1872 3.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -1.1929 4.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.8738 5.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1697 -0.2971 4.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5943 0.9488 3.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6096 1.5130 2.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1385 2.6583 1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5232 2.3136 0.8033 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2416 4.0090 2.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6508 4.9050 1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1459 4.7773 1.1537 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5632 5.1800 2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2473 4.7349 2.7096 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 3.3861 2.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 2.5766 2.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 2.9349 3.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 1.5815 3.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 1.1774 4.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -0.0797 5.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 -0.4824 5.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -1.0214 5.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 -2.4090 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -2.8009 3.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -4.1673 3.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 -4.6614 2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -6.1446 2.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 -6.8055 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 -6.2814 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -7.0666 -1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 -6.5430 -2.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -5.1177 -2.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 -4.7671 -2.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -5.5393 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -5.1278 -3.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 -5.8337 -4.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -7.3320 -4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 -7.6821 -3.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -9.1690 -3.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 5.4707 0.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8514 4.8098 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 3.5332 -0.7482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 5.3377 -2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 5.8754 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2416 6.2251 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 6.8033 -3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 6.9681 -4.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 6.3876 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 5.4950 -4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 6.0824 -4.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 5.5199 -5.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8688 4.0821 -5.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 3.4621 -4.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 2.4857 -3.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 1.7116 -3.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9956 0.2443 -3.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -0.7014 -3.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 -0.6980 -1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -1.6804 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 3.3795 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 2.7322 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 1.5509 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 1.9677 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 3.7749 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 3.7726 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 2.3209 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 0.8021 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 0.0620 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7968 2.1181 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 0.8515 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 -0.7527 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 -0.5424 -2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 -2.8433 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5214 -3.4271 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 -1.6006 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3717 -0.4218 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -2.1052 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6224 -2.6921 4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4013 -2.0129 2.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 -3.1891 4.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -0.3042 4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 -1.6393 5.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1296 -0.2143 6.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6821 -1.8204 5.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 -0.0182 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4212 -1.0691 3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 1.7015 4.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6548 0.6573 3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4696 1.8696 3.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0627 0.7091 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9772 5.9375 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1003 4.5851 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8992 3.7148 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 4.6471 3.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6942 6.2573 2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 3.6297 3.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 2.8221 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 0.8019 3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 1.7092 4.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 1.9739 4.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.9245 3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -0.9085 4.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 0.1334 5.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.4592 6.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 -1.1543 6.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 -1.1394 5.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -0.3189 4.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -2.4323 3.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 -3.0690 5.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 -2.5390 4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5523 -2.0485 3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 -4.9223 4.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 -4.2911 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 -4.6180 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 -4.1648 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 -6.6644 2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 -6.3092 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 -6.7930 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -7.8999 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2498 -6.3870 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -5.2382 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 -8.1722 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 -7.2343 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 -4.7991 -3.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0605 -4.4299 -2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 -4.9895 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -3.6598 -2.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 -6.6077 -3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 -5.3995 -4.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 -5.1310 -2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -4.0366 -4.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 -5.4361 -4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -5.6105 -5.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 -7.7733 -4.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -7.7377 -5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 -7.2118 -3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 -7.2596 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -9.4636 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -9.6845 -3.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 -9.5680 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 6.1711 -2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 4.6190 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 5.2217 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 6.8313 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 5.3492 -3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 6.9947 -3.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 7.8825 -2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 6.3781 -2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 7.6233 -5.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 6.5123 -6.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 5.2286 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 4.5367 -5.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 7.1537 -4.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 6.0813 -5.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 3.5984 -5.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 3.9968 -6.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 3.9152 -4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 2.1544 -3.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 2.0431 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 1.7408 -2.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 0.1322 -4.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -0.0232 -3.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 -1.7309 -3.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -0.4798 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 0.3457 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.9935 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -1.8719 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -1.2357 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 -2.6051 -1.1157 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 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 2 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 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 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 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 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 51152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 71181 1 0 M END