HMDB0268347 RDKit 3D PA(20:3(5Z,8Z,11Z)-O(14R,15S)/i-22:0) 136136 0 0 0 0 0 0 0 0999 V2000 -16.6313 -1.6476 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3650 -0.7886 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5915 -1.0976 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3561 -0.2909 -1.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3185 -0.4447 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7538 -1.8102 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7410 -2.7738 -0.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6006 -2.4381 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0310 -1.9783 2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6160 -0.8076 2.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6524 0.0089 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7063 -0.1504 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2977 -0.0092 1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.8531 1.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7889 1.6907 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7383 3.1410 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9028 3.8638 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 3.2612 -1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 3.8604 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 3.7945 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 2.5608 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 2.6673 2.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 1.2812 0.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 0.1213 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 -0.1304 1.8150 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6964 1.1097 2.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 0.7846 2.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 2.2151 3.2959 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6656 3.0582 3.9936 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 1.8960 4.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 3.1250 1.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -0.4312 0.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -1.5716 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -2.3026 1.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 -1.9579 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -2.9359 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -3.3821 -0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -2.1075 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -1.3205 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 -0.0406 -0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 -0.2524 -1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 -0.9080 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 -1.0702 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1778 0.2854 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 0.5179 -1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2728 -0.1384 -2.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -1.5899 -2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1866 -2.2531 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5161 -2.0856 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0570 -0.9084 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2296 0.4096 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8386 1.3957 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1557 0.9703 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1316 0.8544 -0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6795 2.0853 1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2937 -2.7001 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0980 -1.4901 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2953 -1.4120 -1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6666 0.2738 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7590 -1.0828 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2833 -0.7477 -2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4630 -2.1862 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9120 -0.4679 -2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6621 0.7996 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4755 0.2412 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7494 -0.0205 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0298 -2.0931 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9670 -3.3802 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9332 -2.8949 2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2042 -1.9665 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2640 -0.5635 3.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5094 0.8621 3.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9734 0.5115 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7068 -1.2205 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0282 -0.6142 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4891 0.9609 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 1.2913 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8092 1.3957 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4079 3.6658 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 4.9722 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8111 2.1985 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 3.6336 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 3.2283 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5188 4.9131 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2556 4.3896 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9355 4.5277 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 0.1031 2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -0.7538 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.9460 2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 1.4109 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 1.9086 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 0.9384 4.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 4.1123 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -1.0744 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -2.4718 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 -3.8845 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.6669 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 -3.9197 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8876 -4.0130 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -1.5896 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -2.4700 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.0466 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.9550 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 0.5446 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 0.6021 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 0.7097 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -0.9294 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2772 -0.4171 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.9697 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 -1.7832 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2191 -1.5636 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4785 0.8099 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9586 0.9175 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6745 1.6498 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 0.4313 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1544 0.3934 -3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 -0.0146 -3.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5590 -2.1791 -2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1061 -1.8281 -3.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4290 -2.3634 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 -3.4015 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7698 -2.9749 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3149 -2.3916 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5111 -0.7537 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1091 -1.1631 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9430 0.3316 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3420 0.9484 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9267 2.3721 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0518 1.4856 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1343 0.0728 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1449 1.2024 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8477 1.4626 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2235 -0.2194 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5896 1.7926 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9138 2.9444 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8761 2.3867 2.2259 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 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 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 8 6 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 31 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 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 M END