HMDB0007784 RDKit 3D DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 13.2189 -2.5292 1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 -2.0526 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1287 -0.9933 2.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4113 0.1901 1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2576 0.7323 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3604 1.8894 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2722 2.1373 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5373 1.4074 -1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0015 0.1703 -1.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4282 -0.9793 -1.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 -1.3908 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 -0.4875 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1155 -0.1078 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4517 -0.6303 -2.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1387 0.5590 -2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9484 0.8592 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 0.2280 -3.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -1.0265 -2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 -1.2570 -1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -0.1986 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 -0.1349 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 0.9184 1.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 1.0279 2.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 1.7666 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 2.7622 1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 2.4190 2.5555 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4936 1.9769 3.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 2.1780 4.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 1.6296 2.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2727 2.0722 1.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 3.2511 2.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3704 1.2169 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -0.0962 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 -1.1507 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3203 -0.9757 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 0.1065 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4532 0.2100 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3679 -0.9566 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0031 -1.3399 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8342 -0.3021 -2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9568 0.3215 -1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1223 -0.4755 -0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9210 -1.4846 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4222 -1.4819 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2777 -0.4976 1.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6867 0.7087 1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9402 1.0482 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1305 0.2596 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8576 -0.0836 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0948 -0.9106 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8621 -1.2894 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3647 -0.1166 -1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8676 -3.3893 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4606 -1.7367 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3294 -2.9021 2.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2419 -2.9512 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5251 -1.8667 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3062 -1.2483 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8299 0.9096 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2970 1.0384 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8517 -0.0488 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6979 2.6595 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7771 3.1202 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5339 2.1884 -2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4563 1.4443 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9892 0.2133 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9964 -1.8235 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 -2.2258 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6020 -2.0739 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6982 -0.0468 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 0.5788 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 -1.3126 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5436 -1.0937 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0237 1.2152 -3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 1.8282 -3.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 1.0352 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 0.0746 -4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8928 -1.9332 -2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6339 -2.2675 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 0.7714 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9202 -0.5708 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5656 0.0615 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -1.1172 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 3.4618 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 3.4699 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 3.4320 2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 0.9058 3.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 2.6171 4.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 3.1588 4.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 1.7611 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 1.1195 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 0.0195 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3773 -0.5157 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9609 -2.0645 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -1.5088 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -1.9648 -1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -0.8626 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7408 -0.1658 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 1.1110 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2173 0.5238 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 1.0725 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9148 -1.8717 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1873 -0.6904 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1404 -1.6172 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5309 -2.2904 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2051 0.5274 -2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2586 -0.7834 -3.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5938 1.0111 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3686 1.1201 -2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3571 -1.1515 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0694 0.0848 -0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3034 -2.3963 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1491 -2.3791 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1904 -1.0133 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7709 -0.1472 2.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9421 1.4690 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1320 1.9883 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8196 0.9009 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9896 -0.6561 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1967 -0.6431 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1588 0.8550 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7031 -1.8653 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7570 -0.3573 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2389 -1.9128 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7493 -1.8810 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5844 0.4158 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9182 0.5848 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1384 -0.4999 -2.4718 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 26 29 1 0 29 30 1 0 30 31 2 0 30 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 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 1 27 87 1 0 27 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END