HMDB0288997 RDKit 3D PC(18:3(9,11,15)-OH(13)/DiMe(11,3)) 138138 0 0 0 0 0 0 0 0999 V2000 2.8635 -5.7971 3.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -5.9839 2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 -5.8549 2.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4234 -4.9084 2.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -4.8039 3.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -4.9723 2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 -6.2365 1.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 -3.8831 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -2.6408 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -1.6665 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -0.4289 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 0.6130 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 1.1888 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 2.2790 -1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 2.9700 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 3.6012 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 4.3183 -1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 4.9183 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 5.8716 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 7.0997 0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 5.3182 1.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 6.1412 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 5.2657 2.9952 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5221 6.1201 3.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 6.8695 2.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 7.8783 3.8228 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8711 9.2883 3.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 7.4422 5.4575 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9592 7.8090 3.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 8.4659 2.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5895 8.4210 1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1406 7.1385 1.4112 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.5639 7.0737 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2129 6.0458 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3547 6.8886 2.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 4.4636 3.7816 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 3.0986 3.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 2.6449 2.6737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1245 2.1526 4.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 0.8441 3.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 1.0356 2.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -0.2580 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 -0.1189 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -1.3601 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -1.2897 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -2.4468 -2.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.3766 -3.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 -3.4028 -4.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -4.8129 -4.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 -5.6057 -4.6257 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 -6.8053 -4.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 -7.9835 -4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -8.8963 -5.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3395 -9.4597 -5.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6035 -6.8046 -3.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -7.9276 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -5.5414 -4.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -5.1547 -3.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 -4.7709 3.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -6.4738 4.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -5.9281 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27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 49 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 28 -1 32 1 M END