HMDB0071567 RDKit 3D TG(10:0/12:0/a-15:0)[rac] 122121 0 0 0 0 0 0 0 0999 V2000 0.5092 5.7405 -1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 5.8340 -2.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 4.6429 -3.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 4.7067 -2.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6035 3.5747 -3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 2.2251 -2.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 1.9516 -1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 2.0731 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 1.8002 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 0.5365 1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.7599 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 -1.3484 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -1.0063 -1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4844 -2.4707 -0.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5134 -3.0627 -1.9876 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0723 -4.4986 -1.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2142 -5.2252 -0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -6.5254 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -7.1515 -0.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 -7.1338 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 -6.2890 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0325 -6.7897 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 -5.9012 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 -6.3707 1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 -5.4856 1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6905 -5.9089 2.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8883 -4.9835 2.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0491 -5.3988 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 -3.1443 -2.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 -1.8923 -2.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 -1.6250 -2.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 -2.5481 -3.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 -0.2571 -2.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 0.0273 -3.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -0.7219 -2.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -0.6536 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 0.6538 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2231 0.3993 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4004 1.6913 1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 2.6094 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 3.8982 2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 4.8425 2.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 4.3999 2.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 5.5925 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 4.2016 4.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 3.1758 4.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 6.2046 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 6.3009 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 4.6886 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5129 5.7850 -3.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0226 6.7747 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 3.7057 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 4.7607 -4.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 4.5974 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1655 5.6776 -3.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 3.6450 -4.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 3.7726 -2.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 1.4667 -3.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 2.1368 -3.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 0.9244 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 2.6395 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 3.1590 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.5073 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 2.0987 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 2.6247 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 0.4957 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 0.6659 2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3396 -0.6956 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -1.5034 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -2.5804 -2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -5.0038 -2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.5101 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -7.0712 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 -8.1749 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 -6.2354 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -5.2308 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -6.7158 2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2141 -7.8191 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -5.9305 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -4.8562 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -6.2842 2.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 -7.4145 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8514 -5.5528 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 -4.4422 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9463 -6.9700 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 -5.8223 3.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1365 -5.0868 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -3.9596 2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8636 -5.7782 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 -6.2384 3.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3633 -4.5174 3.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -3.6217 -3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 -3.8021 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 0.3789 -3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 0.1432 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 -0.2479 -4.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 1.1358 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7065 -0.3637 -3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -1.7894 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -1.1333 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7147 -1.3289 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 1.2236 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 1.2159 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1347 -0.2075 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -0.1741 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3106 2.2078 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5312 1.5398 2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 2.9518 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 2.1055 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 3.6528 3.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 4.4169 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 5.8400 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 5.0664 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 3.5572 2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 5.2586 2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 5.9376 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6893 6.3925 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 5.2128 4.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 3.9115 4.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 2.6873 5.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6324 3.6899 5.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 2.3498 4.2373 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 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 1 0 25 26 1 0 26 27 1 0 27 28 1 0 15 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 43 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 15 70 1 6 16 71 1 0 16 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 M END