HMDB0045552 RDKit 3D TG(20:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 2.5844 4.6495 -6.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 4.0338 -4.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 3.3804 -5.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 2.1165 -5.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 1.0963 -4.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 0.4886 -3.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 0.4854 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 1.0334 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 1.8140 -1.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 1.4296 -1.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 0.1552 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 0.5604 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 0.1630 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -0.7655 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 -1.9784 0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 -2.2914 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 -1.6190 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8649 -1.0239 1.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9906 -2.0731 2.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5879 -1.5088 4.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6066 -2.4774 5.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -2.8842 5.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 -3.5995 4.8763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 -2.4746 6.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -2.9249 6.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -2.0960 6.0098 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0685 -2.6528 5.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0409 -3.8873 5.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 -4.4960 4.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -3.9681 5.1622 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 -5.7671 3.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 -5.3925 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -6.5920 1.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -6.2612 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 -7.5151 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -7.4246 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -6.5428 -2.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -6.6636 -4.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 -5.9633 -5.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 -4.4457 -5.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -4.0059 -6.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -2.6020 -7.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 -1.6451 -6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 -1.2744 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 -0.1826 -4.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.6130 -5.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -1.8547 -4.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -2.3636 -4.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -3.6232 -3.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -0.7297 6.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 0.2854 5.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -0.1294 4.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 1.7211 6.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7684 2.5868 5.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 2.5638 3.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 3.5130 3.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 3.5139 1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2804 3.8464 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 5.1770 0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 5.6612 1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 7.0534 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1493 7.5031 3.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 8.9051 2.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 8.8844 1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5827 10.1147 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 11.3068 1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 11.8087 2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 4.9381 -5.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 5.5351 -6.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 3.9228 -6.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 4.8724 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 3.3182 -4.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 4.0101 -6.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 1.7410 -5.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 1.4997 -4.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 0.2909 -5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9526 -0.0244 -4.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 -0.0801 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 1.8075 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 0.2195 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 2.8064 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 2.0267 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -0.4619 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -0.5114 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 1.2493 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 0.5324 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -0.2615 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -1.0606 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -2.5535 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 -3.2139 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -0.9445 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -2.4493 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -0.2458 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8022 -0.5167 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 -2.6570 3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7556 -2.8140 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6734 -1.3082 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1336 -0.5661 4.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2281 -3.3450 5.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0433 -1.9478 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 -2.9089 8.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -3.9621 6.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -2.1012 5.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 -1.9764 5.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 -2.9049 6.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -6.2513 3.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 -6.4874 4.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9579 -4.5783 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 -4.9648 2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 -7.2951 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -7.1092 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 -5.7705 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -5.5472 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 -7.9992 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -8.2444 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -8.4661 -2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -7.2197 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 -5.5237 -2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -7.0205 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6861 -6.4512 -4.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 -7.7723 -4.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 -6.1877 -6.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1113 -6.3532 -5.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -4.0537 -5.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 -4.0655 -4.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -4.4561 -7.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -4.6075 -6.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -2.1394 -6.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -2.4783 -8.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -0.6542 -7.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -1.9146 -6.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5163 -0.7798 -4.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 -2.1191 -4.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 0.7060 -5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 0.0834 -3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -0.7456 -6.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 0.2130 -4.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 -1.6703 -3.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -2.6831 -4.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7253 -2.5326 -5.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 -1.6384 -4.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9643 -3.9931 -3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2177 -4.4488 -4.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 -3.5103 -3.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2944 1.8559 7.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 2.0736 6.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 2.2751 5.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 3.6492 5.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 3.0344 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 1.5647 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 4.4517 3.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4916 3.0353 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2858 4.2252 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 2.5206 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 3.5998 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 3.1199 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 5.9554 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 5.0791 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 5.8180 2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 5.0042 2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 6.8807 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 7.7373 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 6.8485 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 7.5111 3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 9.1515 3.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 9.5631 2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 8.5574 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 8.0201 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 9.9022 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 10.3689 2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 12.1352 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 10.9789 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 11.4218 3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 12.9303 2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 11.7255 1.9185 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 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 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 48140 1 0 48141 1 0 49142 1 0 49143 1 0 49144 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 67175 1 0 M END