HMDB0042179 RDKit 3D TG(14:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 161160 0 0 0 0 0 0 0 0999 V2000 4.7756 -4.2259 -4.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -5.4568 -3.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 -5.5431 -2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 -5.4827 -1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -5.3125 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -6.4642 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 -6.4434 1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -5.3667 2.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -4.0150 2.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 -2.9835 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -3.0876 2.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.5917 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -1.5935 2.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -0.8338 3.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -0.8311 3.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 -1.2666 5.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7241 -1.8287 6.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -0.9125 7.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.2679 7.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 -0.4367 6.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 0.9026 6.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 0.7986 5.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9936 -0.1871 5.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.6365 4.4401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 1.4499 3.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 2.4667 2.6746 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4986 2.2268 2.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 0.9065 1.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7516 0.4971 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.3657 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7642 -0.8681 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -0.9476 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 -0.7227 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 -0.8072 -2.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -0.5894 -1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 -0.5422 -2.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 -1.6737 -3.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -2.1989 -4.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 -1.2038 -5.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -0.5755 -6.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.4058 -7.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 1.0912 -8.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 0.0602 -9.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 3.7914 3.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9052 4.5778 2.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 4.0013 1.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 5.9639 3.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 6.4420 2.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 5.7065 3.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 6.2303 2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 5.5196 2.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 6.0576 2.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 5.4682 2.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 6.1015 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0576 5.7517 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3671 4.2699 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 3.9327 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8064 2.5739 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0384 1.4842 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 0.1420 -1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 -0.9734 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -1.1246 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 -2.3670 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -4.2411 -5.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8135 -4.2469 -4.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 -3.2965 -3.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -5.5680 -3.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -6.3138 -4.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 -5.6669 -2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2735 -5.5599 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2803 -5.1427 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 -4.3743 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -7.4688 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -7.4854 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -5.4978 3.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 -5.6590 3.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 -3.7553 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4967 -1.9719 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -4.1837 2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 -2.6950 3.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -3.1542 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.3042 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 0.2644 2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 -0.9636 3.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 -0.4281 3.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 -1.2098 5.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.0543 5.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 -2.8056 6.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -0.7884 7.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 0.4393 8.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 -1.2760 6.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 -0.5212 7.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 1.6156 6.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1089 1.2916 5.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 0.4187 3.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 1.5972 4.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 2.2730 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 2.9405 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 2.3996 2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 -1.6470 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7903 -1.0745 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -1.9224 -1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 -0.1568 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 0.2576 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -1.4794 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -0.0251 -2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.8146 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 0.4339 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -1.2683 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 0.4261 -3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -0.2836 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 -1.4824 -4.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -2.5497 -2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 -2.7654 -3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 -2.9871 -5.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -0.3818 -4.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -1.7329 -6.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -1.3074 -7.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 -0.0308 -5.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 1.1860 -6.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 -0.1208 -7.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 1.5923 -7.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 1.8698 -8.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 0.4609 -10.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1404 -0.8919 -9.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -0.1544 -8.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 6.1036 4.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 6.5953 2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 6.3852 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 7.5283 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 4.6228 2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 5.9049 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 6.1145 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 7.3165 2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 4.4426 2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 5.6983 4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 7.1742 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 5.9035 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 5.6762 3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 4.3692 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 7.1949 2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 5.6730 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 6.0550 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8911 6.3297 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 3.6424 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3953 4.0851 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 4.1287 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9771 4.6563 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8985 2.5021 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 2.4504 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9981 1.5079 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1044 1.6049 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6238 0.0786 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7271 0.1270 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0388 -0.7990 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -1.9609 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 -1.2790 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.2419 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 -2.0585 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -2.8093 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 -3.1112 0.0395 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 2 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 26 44 1 0 44 45 1 0 45 46 2 0 45 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 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 6 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 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 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END