HMDB0049661 RDKit 3D TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.2799 -6.8343 -5.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6011 -6.8701 -4.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4048 -6.3253 -3.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0408 -5.2759 -2.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0246 -4.5156 -3.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5364 -3.0978 -3.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -2.4938 -4.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2818 -2.9816 -6.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1652 -3.1222 -7.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9043 -2.9256 -6.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3384 -2.4826 -5.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -3.4786 -5.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -3.0491 -4.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 -1.6468 -4.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -1.5530 -5.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 -1.0987 -5.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -0.6159 -4.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 0.8218 -4.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 1.7784 -3.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 1.5045 -2.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2221 1.9806 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 1.6048 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 0.8137 -0.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 2.0985 0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 1.6315 1.6900 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9516 2.7796 1.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 3.3545 0.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 4.2010 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 4.5167 0.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7748 4.7699 -1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 6.2615 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 6.9791 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 6.6248 -1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5545 6.9302 -3.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 6.5668 -4.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 7.0844 -3.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 6.7188 -2.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 6.0335 -2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6112 5.5440 -3.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7304 4.0116 -3.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 3.5654 -2.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5523 2.0482 -2.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2722 1.4926 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 1.8551 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 1.3128 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 1.7164 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 1.0186 2.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.4466 3.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0317 -0.1828 4.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 -0.1563 5.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 -0.7984 5.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.8666 5.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 -1.4924 4.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -2.8943 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -3.1973 3.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 -4.6498 3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -5.0992 2.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -4.9808 3.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -3.6180 4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -3.7031 4.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 -3.2862 6.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 -2.6955 6.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -3.3639 8.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 -3.4148 9.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 -4.0237 9.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 -3.9347 10.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7679 -4.4919 10.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -6.9966 -4.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 -5.8964 -5.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -7.6929 -6.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4104 -6.4331 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8409 -7.9827 -4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 -6.8340 -2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8342 -4.9255 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3425 -4.9341 -4.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9455 -4.4048 -2.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4285 -2.5398 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9536 -1.4135 -4.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7798 -4.0247 -6.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1648 -2.4412 -6.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4019 -3.4701 -8.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -3.0896 -7.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 -2.2077 -4.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 -1.5446 -5.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 -4.5382 -4.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -3.8159 -4.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 -0.8862 -5.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2394 -1.3189 -3.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2472 -1.8856 -7.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 -1.0455 -6.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -1.1460 -4.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -0.9462 -3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 1.0736 -5.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 2.8038 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 0.4647 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 2.1429 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.5844 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 3.0910 -1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 0.8717 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 3.5542 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 2.4464 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 4.3347 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7878 4.4121 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 6.5932 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 6.6008 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 6.8625 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 8.0746 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 5.6666 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 7.4157 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 8.0565 -3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 6.5225 -3.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 5.4263 -4.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 6.7911 -5.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 6.9110 -4.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9915 8.2356 -3.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 7.0077 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 5.8350 -1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6865 5.9077 -3.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 5.7624 -4.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 3.6193 -3.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2916 3.6552 -4.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 4.0177 -2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 3.8884 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 1.5948 -2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0566 1.7880 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 1.9472 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 0.3887 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 2.9382 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.3835 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 0.2122 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 1.7408 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 0.8782 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 1.8610 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 2.6435 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 0.2114 2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.7953 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -0.0946 6.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -1.7425 6.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 -1.4018 6.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 0.1904 5.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9266 -1.3286 4.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 -0.8132 3.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -3.5323 4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 -3.2286 2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -2.9973 4.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 -2.5542 2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -4.8964 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 -5.2661 4.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -6.1962 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -4.5948 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -5.5326 3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 -5.5721 4.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.0309 4.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -3.0479 3.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 -4.1288 4.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -3.3820 6.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 -1.6160 7.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -2.5299 6.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 -2.8900 8.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 -4.4318 8.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -3.9508 10.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -2.3518 9.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -5.0822 8.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -3.4773 8.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7869 -4.5372 11.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -2.8714 10.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7828 -5.5797 10.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -4.2901 9.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3838 -3.9520 11.1456 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 2 0 28 30 1 0 30 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 2 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 2 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 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END