HMDB0047889 RDKit 3D TG(14:1(9Z)/14:1(9Z)/20:1(11Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -5.3233 -10.3597 3.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 -9.3976 3.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 -8.4985 4.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 -7.4701 4.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -8.0461 3.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 -7.8499 2.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -7.0095 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -5.7934 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -5.9798 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 -6.8043 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -7.0726 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -5.9893 -1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -5.0749 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 -4.0519 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7298 -4.1802 -2.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 -3.0256 -0.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -2.0491 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 -1.0253 0.3218 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2389 -0.1129 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 0.7730 -1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 1.7694 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 1.9178 0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 2.7196 -1.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 2.0356 -2.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 2.9741 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 4.0751 -3.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 4.9745 -4.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 6.0290 -3.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 6.9653 -2.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 7.9209 -1.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 7.2485 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 8.2718 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 8.0814 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 6.8672 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 7.1994 -1.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 6.1137 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 5.3552 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 4.5757 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 3.4948 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 2.8502 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 2.2627 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 -0.4343 0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 -0.6750 2.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3165 -1.4735 2.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -0.1388 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 0.9295 2.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 1.3469 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 0.2409 3.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.3067 1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -1.4407 2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 -1.9948 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 -0.9856 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -0.5468 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 -0.9728 -1.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 0.2613 -2.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 -0.1336 -3.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 1.0561 -4.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9058 -11.2086 4.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -9.7629 4.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8784 -10.6280 2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -8.8482 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -10.0042 3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8648 -7.9376 4.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6485 -9.0367 5.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -6.6697 3.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -6.9625 5.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 -8.7031 4.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -8.3754 2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -7.6792 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4841 -6.7286 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 -5.0633 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 -5.2725 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4617 -6.1939 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -4.9129 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 -7.7600 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -6.1860 -1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 -7.7215 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 -7.8362 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 -6.4298 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -5.3555 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 -5.6958 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 -4.6222 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 -2.4489 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 -1.5477 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 -1.6432 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 -0.7017 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7286 0.4706 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1953 3.1227 -2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 3.5836 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 1.2367 -3.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 1.4959 -2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1699 2.3575 -4.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 3.4299 -4.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1814 3.5844 -2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 4.6417 -2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 5.4098 -4.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 4.3334 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 5.5022 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 6.6822 -4.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0684 7.5688 -3.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9675 6.4539 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 8.4765 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 8.7032 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 6.3450 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 7.0270 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 9.2052 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 8.8806 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 6.0049 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 6.5436 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8396 8.0771 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 7.6398 -2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5347 6.5805 -3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 5.4439 -3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8913 6.0064 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5336 4.6157 -2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6177 3.9519 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 5.0789 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 2.7543 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 3.8642 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 2.0418 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 3.6000 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 1.5208 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2627 1.7564 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2242 3.0416 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -1.0056 2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 0.2311 3.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 0.5336 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 1.8418 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 1.8772 3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 2.1251 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 -0.6116 3.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 0.6899 3.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 0.4825 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -0.6896 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -1.1346 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -2.2646 2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 -2.3961 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 -2.9100 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 -0.5463 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4816 0.2409 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 -1.7905 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 -1.3561 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 0.7265 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 1.0436 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -0.9586 -3.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 -0.4757 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 1.6566 -3.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 0.7647 -4.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 1.7299 -4.6134 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 2 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 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 1 0 30 31 1 0 31 32 1 0 32 33 2 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 18 42 1 0 42 43 1 0 43 44 2 0 43 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 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 17 83 1 0 17 84 1 0 18 85 1 1 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 57149 1 0 M END