HMDB0005395 RDKit 3D TG(18:0/18:0/18:1(9Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -2.7813 -1.4341 9.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 -1.3834 8.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 -2.7105 8.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -2.6282 8.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -1.5919 8.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -1.5876 7.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 -0.5629 7.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -0.5971 6.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2927 -0.2893 5.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 -1.0753 4.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 -2.3973 4.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0307 -2.4647 3.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 -2.2803 2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 -2.3578 1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 -2.2297 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0476 -0.9307 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 -0.9474 -1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 0.3337 -1.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.3365 -1.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 0.3992 -2.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6916 1.5775 -3.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 1.0907 -3.8979 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0272 -0.1378 -3.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 0.2963 -1.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -0.6296 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 -1.8518 -1.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -0.2173 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.4076 1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 -1.0226 2.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -0.1038 2.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5533 0.3407 4.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 1.0849 4.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 2.3387 4.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 3.2991 3.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 4.5160 3.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 5.2701 3.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3158 6.4715 2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 7.2904 3.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 8.4560 2.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 9.3806 3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 9.2018 3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 8.1609 3.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 6.7901 3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 0.6033 -5.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4408 0.9579 -6.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 1.7450 -6.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 0.4382 -7.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 0.8489 -8.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.3377 -10.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 0.6713 -11.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 0.0474 -11.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.4470 -11.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -2.0002 -11.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 -3.5199 -11.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 -4.1032 -10.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -3.7977 -8.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -4.3885 -7.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 -4.1722 -6.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -2.7100 -5.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 -2.4634 -4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8487 -0.9941 -4.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 -0.6223 -3.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 -1.2793 -2.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 -2.3916 10.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 -0.6025 10.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -1.2708 9.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -1.0488 7.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 -0.6341 9.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -3.4439 8.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 -3.0378 9.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.4382 6.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 -3.6286 8.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9426 -0.6085 8.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 -1.7607 9.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 -2.5954 7.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 -1.5104 6.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -0.7485 8.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2046 0.4267 7.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 0.2306 7.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 -1.5191 7.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 0.6897 5.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 -0.7239 3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4211 -2.7226 5.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 -3.1985 4.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5578 -3.4389 3.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -1.6629 3.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 -2.9679 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.2487 2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 -3.3258 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -1.5461 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0902 -3.0791 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 -2.3472 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -0.0883 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 -0.8424 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 -1.0388 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.8151 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 1.9906 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 2.2787 -3.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 1.8288 -3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 -0.6129 -3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 -0.8601 -2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 0.5129 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 0.3254 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7688 -2.1074 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 -1.9760 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -1.9858 3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -0.6680 3.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 0.7767 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 -0.5922 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -0.5244 4.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4302 1.0119 4.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 1.4245 5.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 0.4398 5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 2.0364 3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 2.8824 4.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9669 2.8069 3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 3.5610 4.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 4.1605 2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6127 5.2222 3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6732 4.6944 3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 5.5772 4.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 7.0984 2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 6.1240 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5839 7.7146 4.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 6.6165 3.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 9.0171 2.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 8.1188 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 9.8270 4.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 10.3730 2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 9.2240 1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1128 10.2052 3.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 8.1394 4.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 8.3841 3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 6.0813 3.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 6.4267 2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 6.7954 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 0.8145 -7.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 -0.6705 -7.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 1.9717 -8.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9536 0.5037 -8.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 -0.7535 -9.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 0.8356 -10.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.4174 -12.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 1.7750 -11.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 0.3447 -12.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 0.4802 -10.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -1.8404 -10.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 -1.8311 -12.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -1.6404 -10.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 -1.7130 -12.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9378 -3.8361 -11.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 -3.8725 -12.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -3.8206 -9.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 -5.2095 -10.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -4.3162 -8.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 -2.7246 -8.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 -3.8904 -7.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 -5.4646 -7.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -4.5376 -5.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 -4.7038 -6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -2.3571 -6.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -2.0994 -6.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 -2.9523 -4.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 -2.8823 -3.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9204 -0.4578 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 -0.6498 -5.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 0.4882 -3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -0.7848 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4848 -0.6774 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3332 -1.3932 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7067 -2.3010 -2.5437 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 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 2 0 25 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 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 22 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 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 63171 1 0 M END