HMDB0049660 RDKit 3D TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 2.6847 5.2722 -1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 5.3361 -1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 4.0025 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 3.4720 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2574 4.1653 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 3.6920 2.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 2.6455 2.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 1.5700 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 0.3858 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -0.6580 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 -0.7729 2.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -0.7047 3.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.7029 4.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -3.0712 4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5988 -3.3640 4.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 -3.7667 3.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 -3.9957 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8885 -5.4899 1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -6.0488 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -5.4276 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -5.8879 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -5.4597 -2.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 -6.3735 -3.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 -4.2100 -2.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 -3.9910 -4.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -3.6206 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9885 -2.4903 -2.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4594 -2.2788 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -3.1747 -0.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6745 -0.9649 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -0.2292 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5466 -0.9577 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -0.1575 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 1.2273 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 1.2614 2.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 2.6603 2.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 3.5836 3.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 3.1845 4.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 3.0722 5.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 3.8183 6.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 4.8043 6.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 4.8052 6.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 4.7454 8.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 3.5215 8.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 2.7453 9.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 1.5773 10.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0631 -3.1482 -5.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 -1.8163 -4.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2759 -0.9927 -5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 -1.5572 -7.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 0.3998 -5.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 0.9766 -4.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5027 2.4348 -4.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 3.1760 -3.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 2.4898 -2.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 2.4271 -2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 1.7039 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 1.5543 -2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 0.7731 -3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 0.7167 -3.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 -0.3759 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -1.7535 -3.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 -2.4702 -4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 -3.8632 -5.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -4.1860 -5.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 -3.8073 -4.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -4.3903 -4.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 4.5935 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 6.2990 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 5.0112 -2.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1758 5.9789 -0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 5.8449 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 3.3710 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6688 2.4513 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 4.2355 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 5.2832 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7228 4.3531 3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 2.4528 3.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 1.4882 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 1.7819 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.5032 2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 -1.5258 3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6812 -0.1410 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 -1.8299 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 0.2747 4.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7118 -1.4723 5.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -3.2586 3.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 -3.8095 4.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -3.2172 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 -3.9832 3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -3.7061 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 -3.5182 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2761 -6.1295 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 -7.1876 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 -4.3391 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -5.8122 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -5.5338 -2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 -7.0076 -1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -5.0247 -4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2695 -4.4877 -2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6268 -3.5676 -4.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2618 -1.1072 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -0.3602 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -0.1129 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 0.8109 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -1.9393 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 -1.0129 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -0.0844 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -0.6929 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 1.8029 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 1.6536 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 0.7101 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 0.7541 3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 2.5746 4.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 3.1362 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 4.5855 3.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 3.8158 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 3.7610 3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 2.1244 3.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 2.3216 5.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 3.6286 7.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 5.7808 6.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 5.2173 5.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 4.0530 6.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 5.7834 6.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 5.5827 8.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 5.1308 8.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 2.7405 8.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 3.6879 10.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 2.1192 8.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 3.2482 9.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7779 1.9778 11.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 0.9640 10.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 0.9990 9.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 -3.6524 -5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9103 -3.0817 -5.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 0.6162 -6.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 1.0353 -6.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 0.4736 -3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 0.9419 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 2.8960 -5.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 2.4279 -5.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5162 3.2859 -2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 4.1919 -3.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 3.0989 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 1.5072 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 1.9654 -3.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 3.4624 -2.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 2.3905 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2095 0.7616 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 2.5323 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 0.9611 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 1.2956 -4.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -0.2165 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3336 1.6602 -3.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 -0.3190 -3.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 -2.2606 -2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -1.7598 -3.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -2.4915 -5.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 -1.8208 -5.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 -4.2513 -6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2758 -4.4823 -4.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -3.7402 -6.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -5.3144 -5.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -2.6774 -4.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -4.1293 -3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 -4.1116 -5.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 -3.9038 -3.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 -5.4826 -4.2111 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 1 0 38 39 1 0 39 40 2 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 0 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 37117 1 0 38118 1 0 38119 1 0 39120 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