HMDB0277344 RDKit 3D PI(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:3(5Z,8Z,11Z)) 148148 0 0 0 0 0 0 0 0999 V2000 -3.0646 3.2094 -9.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 1.7574 -9.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8041 1.0926 -10.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 0.0494 -10.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 -0.6038 -8.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.5336 -8.3609 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0485 0.7879 -8.2848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.4019 -7.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 -1.2667 -5.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 -2.1963 -4.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -2.1343 -3.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 -1.0697 -3.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 -0.3245 -2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -0.2602 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0682 -0.8728 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -0.7728 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -1.4553 1.1603 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7391 -0.5045 0.8528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8652 -2.6496 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 -3.8478 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -4.1994 1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5729 -4.7976 1.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -5.3016 2.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 -4.2297 3.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 -3.7638 4.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 -3.6531 4.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 -2.6391 4.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 -2.2548 4.8139 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1642 -3.5061 4.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -4.2887 3.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5009 -5.7526 3.6341 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5244 -5.8728 4.7314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -7.0237 3.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 -5.8428 2.1468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -6.3758 1.1833 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1505 -5.4267 0.0641 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2861 -6.1257 -0.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -5.1484 -0.7241 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4304 -4.8346 0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -6.4480 -1.4541 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7007 -6.8748 -2.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -7.4686 -0.4190 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3826 -7.2168 0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 -7.6415 0.6675 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6993 -8.3276 1.7336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -1.2764 5.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9103 -0.0198 5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.2015 4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 1.1010 6.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 1.6734 6.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 2.0605 5.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 3.0773 4.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 4.2173 4.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 4.6523 4.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 5.9489 5.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 7.0695 4.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 7.0052 3.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 7.4051 3.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 8.3749 3.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 9.1879 2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 8.9281 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1296 7.4415 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5851 6.8671 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 7.4269 -1.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 6.7127 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 7.1903 -4.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 8.6633 -4.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6482 3.4264 -8.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 3.3713 -9.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 3.8868 -9.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 1.8125 -9.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 1.3515 -8.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 1.4895 -11.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5199 -0.3750 -10.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -1.6940 -8.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.2072 -7.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 -0.9181 -9.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 0.8919 -8.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.2538 -7.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -0.4268 -5.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -3.0277 -5.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -2.8728 -2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -0.3595 -4.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 -1.4704 -2.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 0.1852 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 0.3089 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -1.4464 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -0.2083 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 -1.6051 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9138 0.0945 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 -2.5277 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 -4.6851 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 -5.0353 2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 -3.4229 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -4.1485 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -5.7128 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 -6.1548 3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 -5.6735 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1935 -1.7696 4.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 -3.0481 6.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 -1.8472 3.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -3.2377 4.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 -4.0950 5.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 -7.2236 4.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -6.6437 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 -4.5304 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 -6.3826 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -4.3371 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -3.8637 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6408 -6.2544 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 -6.2955 -3.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -8.4635 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0171 -7.1280 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 -8.3279 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 -8.9936 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 1.9039 5.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 0.6989 7.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 2.5289 7.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 0.9190 7.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 2.1974 5.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 1.1142 4.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 2.8857 4.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 4.8797 3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 4.5128 3.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 3.9386 5.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 6.0457 6.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 7.9873 5.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 7.6541 2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 6.0090 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5603 6.8720 4.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 8.6040 3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 9.1138 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9939 10.2854 2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 9.5432 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 9.1421 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 7.2174 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 6.9652 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 5.7684 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6648 6.9058 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1105 8.5185 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 7.2407 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1437 5.6247 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5446 6.7052 -3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 6.6044 -5.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 7.0628 -4.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 9.2771 -3.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 8.9264 -5.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0955 8.9192 -4.7839 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 1 0 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 28 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 44 35 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 6 7 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 1 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 23 97 1 0 23 98 1 0 27 99 1 0 27100 1 0 28101 1 6 29102 1 0 29103 1 0 33104 1 0 35105 1 1 36106 1 1 37107 1 0 38108 1 6 39109 1 0 40110 1 6 41111 1 0 42112 1 6 43113 1 0 44114 1 6 45115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 67148 1 0 M END