HMDB0292719 RDKit 3D CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 159160 0 0 0 0 0 0 0 0999 V2000 -4.9074 4.4459 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 5.2851 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 6.6252 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 7.2104 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 6.5748 -2.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0066 6.4963 -3.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5727 5.3972 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 4.0564 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9491 3.2399 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4529 2.0878 -2.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0251 1.5511 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0714 1.3544 -5.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2875 0.2212 -5.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5347 -1.0555 -5.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7687 -1.3446 -6.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -1.4585 -6.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 -1.3120 -5.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 -2.5362 -5.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 -2.4545 -5.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -1.1734 -5.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -1.1284 -4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 -1.4994 -3.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -1.9263 -3.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -1.4307 -1.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -1.9033 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 -1.8006 0.7339 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2786 -2.8958 1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -3.0342 2.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 -4.2399 3.7926 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7174 -3.8252 5.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 -4.6367 3.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0854 -5.6873 3.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 -5.7200 4.2372 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6174 -4.5370 5.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -7.1287 5.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -5.7582 3.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -4.4550 2.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -4.5386 1.6686 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6666 -5.2227 0.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -4.8299 -0.4088 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2462 -5.1897 -1.7511 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -5.6168 -1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 -5.9738 -3.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -5.8687 -4.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -6.2278 -5.6461 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 -5.4322 -4.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -5.0927 -2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 -4.6801 -2.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 -3.3093 -0.3049 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4382 -2.6055 -0.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 -3.1512 1.2082 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7684 -2.8700 1.6643 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -0.5904 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 0.1056 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 -0.3751 1.7586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 1.4045 2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 2.1125 3.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 3.3606 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 4.5591 3.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1513 5.0653 2.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 4.1466 1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 4.0638 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 4.8034 2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 5.6167 1.5296 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8964 6.3492 2.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 4.7741 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 3.6358 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2056 2.7857 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 1.6545 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 1.1650 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0998 0.0191 2.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0223 -0.6321 3.5892 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1066 -1.5208 3.7736 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9909 0.3900 4.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8988 -0.3655 5.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -0.3001 6.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 0.5881 6.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -0.2863 6.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 4.8392 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 3.4073 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9115 4.5464 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 4.7226 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 5.4018 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6898 7.1718 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 8.2353 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 7.2999 -3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 5.6494 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5394 7.4623 -3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5473 5.3933 -4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6716 3.7069 -4.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0153 4.0656 -2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2609 3.6608 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1684 1.5746 -2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 0.5365 -4.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2412 2.1494 -4.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6878 2.2484 -5.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0856 0.1634 -6.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0541 -1.1116 -4.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3676 -1.8745 -5.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3319 -1.4798 -7.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 -1.6689 -7.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2746 -1.3432 -4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0977 -0.3666 -5.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 -3.4848 -5.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 -3.3739 -5.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 -0.2505 -5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.1872 -6.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5764 -0.0672 -4.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -1.7423 -4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -1.4350 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -3.0002 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 -2.2005 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3098 -2.5935 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -3.8213 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 -5.1915 4.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -7.8683 4.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 -3.9055 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 -3.8849 3.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 -5.0445 2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6396 -5.1660 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 -5.7086 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 -6.3315 -3.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 -5.4745 -6.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -7.2304 -5.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -3.1012 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 -1.7308 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -2.3588 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 -2.1056 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 1.1908 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 2.1096 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 1.4590 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 2.1288 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 3.2712 4.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 5.4015 3.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 5.8700 2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 5.7448 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 3.5370 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 3.3466 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 5.4725 3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 4.0473 2.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 6.3649 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 7.0007 2.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 5.1129 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 3.3410 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 3.1048 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 1.0933 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 1.6808 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 -0.5238 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1255 -1.2454 3.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8163 -2.4547 3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9834 0.9463 4.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1817 1.0899 4.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 -1.0632 6.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 -0.9434 7.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 1.1778 5.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 1.2664 7.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 0.2661 7.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -1.2358 7.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 -0.5085 5.6155 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 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 2 0 43 44 1 0 44 45 1 0 44 46 2 0 46 47 1 0 47 48 2 0 40 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 64 66 1 0 66 67 2 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 75 76 2 0 76 77 1 0 77 78 1 0 51 38 1 0 47 41 1 0 1 79 1 0 1 80 1 0 1 81 1 0 2 82 1 0 2 83 1 0 3 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 7 89 1 0 8 90 1 0 8 91 1 0 9 92 1 0 10 93 1 0 11 94 1 0 11 95 1 0 12 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 16101 1 0 17102 1 0 17103 1 0 18104 1 0 19105 1 0 20106 1 0 20107 1 0 21108 1 0 21109 1 0 25110 1 0 25111 1 0 26112 1 6 27113 1 0 27114 1 0 31115 1 0 35116 1 0 37117 1 0 37118 1 0 38119 1 1 40120 1 1 42121 1 0 43122 1 0 45123 1 0 45124 1 0 49125 1 6 50126 1 0 51127 1 6 52128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 59134 1 0 60135 1 0 60136 1 0 61137 1 0 62138 1 0 63139 1 0 63140 1 0 64141 1 6 65142 1 0 66143 1 0 67144 1 0 68145 1 0 69146 1 0 70147 1 0 71148 1 0 72149 1 6 73150 1 0 74151 1 0 74152 1 0 75153 1 0 76154 1 0 77155 1 0 77156 1 0 78157 1 0 78158 1 0 78159 1 0 M END