HMDB0274118 RDKit 3D PGP(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 140139 0 0 0 0 0 0 0 0999 V2000 -8.0722 1.0086 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3972 0.9551 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1121 0.8700 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7042 1.7670 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4784 2.9717 -1.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8192 2.9690 -3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3957 3.8599 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5116 4.9936 -3.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1919 6.2536 -4.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7182 7.1159 -5.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4645 6.9146 -5.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 8.0015 -5.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 7.9309 -5.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 6.6206 -4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 6.8230 -3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 6.5858 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 6.0834 -3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 4.7422 -2.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 4.2039 -3.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9675 2.8641 -3.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 3.0361 -1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 1.7017 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 0.6361 -1.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 1.6993 -0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 0.6836 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 -0.3694 -0.1429 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4035 0.0999 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 1.0438 -1.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9969 1.5044 -2.0166 P 0 0 0 0 0 5 0 0 0 0 0 0 8.9285 0.3351 -2.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 2.4648 -3.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5298 2.4558 -0.6939 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 1.8527 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9758 2.7614 1.1263 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3876 4.0028 0.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 3.0108 2.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2594 1.8405 2.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 2.2563 3.5569 P 0 0 0 0 0 5 0 0 0 0 0 0 7.5097 2.9239 4.7874 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 0.8942 4.0271 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 3.3534 2.7838 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 -1.0201 -1.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.2763 -0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 -2.8003 0.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9377 -3.0822 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -4.2922 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 -5.0853 -2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 -4.2664 -2.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 -4.4053 -2.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 -5.4139 -1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -6.5257 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -6.6668 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -5.6865 1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 -5.1332 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1498 -5.2215 3.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 -5.8663 4.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -7.0025 5.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -7.0024 6.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -5.9294 7.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 -6.0531 8.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 -4.9911 9.4246 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2080 -5.2433 10.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 -4.8585 9.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -3.7583 10.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9824 0.6175 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8763 2.0496 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1716 0.4279 1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1375 1.6547 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8809 -0.0980 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4591 -0.0223 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7116 1.5722 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4801 2.8989 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0393 3.8979 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4719 2.1249 -3.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6938 3.7820 -5.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2213 4.9101 -2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 4.7988 -4.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1495 6.4724 -3.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2505 8.0684 -5.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 5.9139 -5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8076 7.0606 -6.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 9.0004 -5.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 8.8060 -5.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9475 6.3275 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 5.9161 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1845 7.1930 -2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 6.7612 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 6.7811 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2373 6.0463 -4.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 5.0031 -1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4469 4.0503 -2.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 4.8873 -3.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 4.1165 -4.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 2.5116 -4.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 2.1069 -3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 3.4482 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 3.6310 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 1.1291 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 0.1636 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2658 -1.1000 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 -0.7707 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 0.5211 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 3.0081 -3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 1.8919 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 0.8214 0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 2.3420 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 4.7463 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 3.6109 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1376 3.6801 2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 0.6000 4.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 3.0263 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -2.3998 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -3.3643 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -4.9221 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -4.0723 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -6.0792 -1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -5.2587 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 -3.3853 -3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -3.6198 -2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 -4.8919 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 -5.8812 -2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -7.3407 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -7.5352 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -6.2963 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -4.9020 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 -4.6234 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -4.7914 4.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -6.2542 3.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 -5.0747 5.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 -7.8512 4.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -7.8720 6.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5863 -5.0416 6.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 -6.9249 8.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -4.0411 9.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 -5.6637 10.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3307 -4.5450 8.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 -5.8137 9.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 -3.7789 10.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -2.7835 9.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -3.9671 11.2435 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 1 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 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 1 35107 1 0 36108 1 0 36109 1 0 40110 1 0 41111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 6 62135 1 0 63136 1 0 63137 1 0 64138 1 0 64139 1 0 64140 1 0 M END