HMDB0293400 RDKit 3D CDP-DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/i-13:0) 142143 0 0 0 0 0 0 0 0999 V2000 -9.4513 -4.7060 1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1987 -3.8526 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4885 -3.6597 2.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2529 -2.8447 2.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4553 -1.4456 1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3517 -0.7004 2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9547 0.3843 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5969 0.9769 3.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7222 2.3881 2.7141 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5254 3.0825 3.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 3.0684 2.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2951 2.4302 2.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 3.0074 2.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 2.2782 3.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 2.7197 3.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 1.9048 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 0.4946 3.8346 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9226 -0.2233 2.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -0.2596 4.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 0.1775 5.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.5296 5.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6846 1.7521 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 2.3922 5.7828 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 1.3211 3.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1736 1.6339 3.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 1.1891 1.9570 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5921 1.9600 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 1.7353 1.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 2.7342 -0.1744 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3132 4.0424 -0.1463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 2.9797 0.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 2.0905 -1.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 3.2522 -2.8576 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3021 4.6403 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 3.2478 -4.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 2.9445 -3.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 3.9414 -4.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 3.4959 -4.5673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9278 4.3739 -5.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 3.6148 -5.6068 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0992 4.2691 -6.3759 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 4.0151 -7.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3644 4.6975 -8.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 5.6765 -7.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 6.3679 -8.4449 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 5.9071 -6.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 5.2335 -5.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 5.5013 -4.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 2.3375 -6.1372 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4304 1.3054 -5.7782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 2.2189 -5.3968 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3153 1.1018 -4.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -0.2282 1.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 -1.0323 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 -0.3978 1.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2942 -2.4806 1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9489 -3.0951 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -2.8193 2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -3.5651 2.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -3.2830 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -4.1779 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -4.0308 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 -2.6356 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 -2.7106 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -1.3717 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 -1.3902 -2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.2782 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7006 -4.6491 2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2589 -4.3251 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1750 -5.7476 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5324 -4.2644 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5480 -2.8708 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1696 -4.6917 2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1830 -3.3097 3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7561 -2.8050 3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 -3.3849 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5152 -0.9895 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9825 -1.5775 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3945 -1.0432 2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7137 0.8711 4.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 1.0127 4.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 0.3924 2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2205 2.3520 1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3527 2.7056 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 4.0987 2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 1.3777 3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 4.0488 2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 1.2200 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 3.7788 3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 2.3514 3.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 0.3751 4.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -0.1422 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 -0.3322 3.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 -1.3327 4.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 0.0559 6.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 -0.5547 6.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 1.6221 7.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.3599 5.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 2.7536 3.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 1.2318 4.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4868 1.4232 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 1.6553 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 3.0489 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 3.9063 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 3.0874 -3.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 4.0196 -5.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 4.8637 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 3.3258 -3.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 3.3959 -4.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 3.2600 -8.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5881 4.4903 -9.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7847 5.9332 -9.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2416 7.3902 -8.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 2.3134 -7.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 1.6188 -5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 2.1611 -6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.3260 -5.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9107 -2.8368 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -2.9549 2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0644 -4.2199 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3663 -2.7937 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 -1.7465 2.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 -3.1113 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 -3.3361 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -4.6649 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -3.5362 0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -2.2266 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -5.2348 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -3.8868 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -4.3415 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -4.7697 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -1.9883 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 -2.3269 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2091 -3.1351 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -3.4244 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -1.0863 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -2.2311 -2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 -0.4115 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -1.5813 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 0.6728 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -0.0074 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -0.4700 -2.1548 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 2 0 16 17 1 0 17 18 1 0 17 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 2 0 33 35 1 0 33 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 2 0 43 44 1 0 44 45 1 0 44 46 2 0 46 47 1 0 47 48 2 0 40 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 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 65 67 1 0 51 38 1 0 47 41 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 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 6 10 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 1 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 35105 1 0 37106 1 0 37107 1 0 38108 1 1 40109 1 1 42110 1 0 43111 1 0 45112 1 0 45113 1 0 49114 1 6 50115 1 0 51116 1 6 52117 1 0 56118 1 0 56119 1 0 57120 1 0 57121 1 0 58122 1 0 58123 1 0 59124 1 0 59125 1 0 60126 1 0 60127 1 0 61128 1 0 61129 1 0 62130 1 0 62131 1 0 63132 1 0 63133 1 0 64134 1 0 64135 1 0 65136 1 0 66137 1 0 66138 1 0 66139 1 0 67140 1 0 67141 1 0 67142 1 0 M END