HMDB0300300 RDKit 3D DG(i-21:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 126125 0 0 0 0 0 0 0 0999 V2000 11.4761 4.1476 -2.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3088 3.3780 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6950 3.0964 -0.3634 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2841 4.3212 -0.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 2.3410 -1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0922 1.2301 -1.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9886 0.5826 -2.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 -0.5024 -3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3574 -1.2015 -3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6620 -2.5667 -2.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2923 -3.1572 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4498 -2.4660 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1033 -2.3854 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 -2.9184 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -3.6868 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 -3.0892 2.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2253 -2.6348 2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 -2.6648 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -3.4849 0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3579 -2.9601 1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -1.5638 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.5760 2.1337 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 -1.2437 0.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 0.1227 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 0.2322 -1.1817 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9100 1.5834 -1.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 -0.6544 -1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -0.3539 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 0.7740 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 1.7840 -1.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.9133 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 2.3575 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 2.6775 1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 2.1949 0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0117 2.5483 1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2921 2.1945 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4952 0.7540 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8496 0.5449 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9957 -0.9078 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2866 -1.2589 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5183 -0.8518 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5441 -1.5124 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6200 -1.2096 2.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0266 -1.4747 1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7254 -0.7851 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7102 0.7310 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4305 1.4382 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8906 1.0517 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6087 1.4041 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5731 1.7517 -1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 3.7523 -3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 5.2250 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5601 4.0930 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8211 4.0898 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6788 2.4987 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5595 2.4681 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2146 4.2913 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5057 2.7190 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1193 0.8800 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9861 0.9758 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3542 -0.9727 -4.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9773 -1.3071 -4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5854 -0.6550 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2951 -3.1474 -3.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6163 -4.1982 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 -1.4029 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4815 -2.9748 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0649 -1.8347 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2441 -2.7948 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0116 -3.9856 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6889 -4.6783 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7648 -3.0307 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -2.2185 3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3467 -1.6029 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -2.9168 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 -3.4045 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -4.5701 1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4711 -3.6319 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -2.9193 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 0.6578 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 0.6129 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -0.1015 -2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 2.0942 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 -0.6874 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 -1.7375 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 0.4029 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 0.3744 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 2.8387 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 2.8458 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 2.0507 2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 3.7487 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 1.0964 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 2.7251 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0246 3.6199 1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9402 1.9292 2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1161 2.4990 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4873 2.8207 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7144 0.3574 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4616 0.1255 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6611 0.9953 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7609 1.1511 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1828 -1.1779 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8056 -1.5624 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3367 -2.3631 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3963 -0.8316 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6857 0.2321 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3586 -1.2986 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -1.3810 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5559 -2.6559 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5111 -0.1323 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3825 -1.7925 3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6110 -1.2032 2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2089 -2.5952 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8535 -1.0305 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4926 -1.0312 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6682 1.0592 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1629 0.9985 1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9571 1.1185 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2993 2.5121 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0205 -0.0338 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2954 0.6564 1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6928 1.3108 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3364 2.4250 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5606 1.1313 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6354 1.9491 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0378 2.6936 -1.7695 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 1 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 6 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END