HMDB0268265 RDKit 3D PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-21:0) 133132 0 0 0 0 0 0 0 0999 V2000 -15.8047 2.2059 2.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2327 1.8445 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7922 0.8858 1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7825 1.0968 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5022 1.1358 -0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7984 -0.1421 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5530 -0.2787 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6636 0.8268 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4088 0.8182 -0.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6606 1.9214 -0.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6927 -0.4468 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3568 -0.4334 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6233 -1.6348 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3370 -1.7847 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2986 -0.8147 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5658 0.5328 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1685 1.5911 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3995 1.5927 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1474 2.3827 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2003 1.9405 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 0.5707 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 -0.3678 -0.6249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 0.2482 1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.0675 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.6978 0.1486 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3262 -3.1567 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -3.2325 1.4491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -4.8363 1.7894 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4102 -5.1316 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 -5.1014 3.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -5.8521 0.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 -1.0782 -0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 -0.5878 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -0.7271 -2.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 0.0434 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 -0.4873 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 0.1864 -2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 -0.2606 -1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 -1.7351 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 -2.1394 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3383 -1.4860 -1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6775 -1.9189 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8158 -1.2874 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8522 0.2090 -1.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 0.7806 -2.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 0.3825 -2.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7837 0.7446 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2012 0.2578 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8112 0.5758 0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8408 2.0296 0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4059 2.3951 2.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8251 2.0551 2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0905 2.6310 3.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1457 0.5903 2.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5259 2.9280 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1320 1.3320 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6051 2.7887 3.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3982 1.3834 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8605 2.7880 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8991 0.7638 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4175 -0.1689 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3562 0.2125 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4581 1.9560 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7627 1.2044 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9262 2.0415 -0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4144 -1.0352 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2074 -1.3317 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2553 0.6382 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1006 1.8160 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6403 0.8819 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1732 2.3452 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2216 -1.3674 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9127 0.4943 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2363 -2.5446 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0045 -2.8304 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6868 -1.2870 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4979 -0.8667 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0911 0.7823 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4294 2.6039 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 0.6304 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0462 2.1881 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4531 3.4477 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5992 2.5079 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 2.6007 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 2.0393 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -1.0913 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -1.6652 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.7512 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 -3.7138 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -3.6742 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -5.1471 3.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 -5.6638 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 1.1510 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 -0.1498 -3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -0.1629 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -1.5824 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 0.0792 -3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 1.2781 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 0.2295 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8138 0.1114 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -2.3302 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 -2.0720 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -3.2396 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2213 -1.8057 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3082 -0.3942 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 -1.7769 -2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7507 -1.7849 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 -3.0228 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7745 -1.6842 -2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7614 -1.6570 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8344 0.5922 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9061 0.5974 -2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 1.8940 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8204 0.4229 -3.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0516 0.8758 -2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5210 -0.7178 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6895 1.8349 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1595 0.2618 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8373 0.6418 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2024 -0.8543 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8718 0.2259 0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3347 0.0246 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7811 2.4572 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4425 2.5843 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7800 1.8538 3.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2067 3.4982 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4823 2.6040 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6448 1.9253 4.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1741 2.7838 4.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 3.5924 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7896 0.3027 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8792 0.4645 3.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3137 -0.0758 2.8191 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 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 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 6 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 30 91 1 0 31 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 M END