HMDB0098042 RDKit 3D TG(a-13:0/i-18:0/8:0)[rac] 128127 0 0 0 0 0 0 0 0999 V2000 -3.2421 -5.5671 -4.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 -4.0618 -4.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 -3.7193 -3.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -4.3266 -2.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 -4.0093 -1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0913 -2.5328 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -2.2551 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -0.8084 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 0.0030 -0.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 -0.2676 1.9726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 1.1256 2.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 1.5765 3.5387 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3319 3.0824 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 3.5495 3.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 3.1581 3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 2.3506 4.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 3.7223 2.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2444 3.2504 3.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5672 1.8374 3.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5553 0.9566 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4045 1.2329 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 2.4119 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 2.2597 -0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 3.5210 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 3.5196 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 4.8448 -3.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 3.5149 -1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 3.5127 -2.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 1.2006 4.1893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.3524 5.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -0.1308 5.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 0.0111 5.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -1.3656 6.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 -2.4728 5.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -2.4978 4.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 -3.7117 3.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 -3.6317 2.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 -2.3702 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 -2.4595 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 -1.2446 0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -0.9702 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 0.2799 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6267 0.6354 -2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6111 -0.4499 -3.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -0.0525 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -1.1558 -5.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.6677 -6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 -1.3050 -5.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 -5.7812 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -5.9240 -5.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -6.0935 -3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 -3.6341 -4.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -3.6775 -5.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 -2.6327 -3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 -4.1245 -2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5301 -5.4267 -2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -3.9348 -3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -4.4569 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -4.5363 -1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 -2.0910 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -2.0882 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 -2.6480 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -2.8215 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 1.5517 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 1.4568 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 1.0878 4.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 3.3856 4.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 3.5727 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 4.8556 2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 3.6220 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0885 3.8687 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 3.5780 4.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6415 1.7601 3.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 1.2908 3.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8747 -0.0759 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5231 0.7311 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 0.3398 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4923 1.2777 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0534 3.3855 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8394 2.4136 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 1.3657 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 2.0839 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 4.4248 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 3.6708 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 2.6847 -3.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4696 4.6731 -4.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 5.5881 -2.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 5.3027 -3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 2.6062 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 4.3752 -0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 3.0388 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 2.8966 -3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3728 4.5232 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 0.7280 6.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 0.1456 5.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 -1.4280 7.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -1.5192 7.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 -2.4104 5.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -3.4562 6.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 -2.6863 5.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -1.5960 3.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -4.6347 4.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -3.6344 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -3.8354 3.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8048 -4.4602 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -1.4656 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -2.2759 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 -2.6012 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -3.3851 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 -1.3217 0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -0.3620 1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.8425 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 -0.8115 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 1.1374 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 0.1097 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.8286 -1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 1.5937 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.3649 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 -0.6397 -3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 0.8809 -4.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 0.0787 -4.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -2.0851 -4.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 0.4376 -6.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -0.7966 -6.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -1.1368 -7.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -0.2895 -5.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1006 -1.7873 -6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -1.9416 -5.2390 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 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 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 12 29 1 0 29 30 1 0 30 31 2 0 30 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 11 64 1 0 11 65 1 0 12 66 1 1 13 67 1 0 13 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 M END