HMDB0293535 RDKit 3D CDP-DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-14:0) 147148 0 0 0 0 0 0 0 0999 V2000 0.4405 4.7248 -5.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 5.1589 -5.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 4.9996 -4.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 4.2424 -5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 3.4217 -6.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 1.9322 -5.8412 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 1.5636 -5.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 1.7915 -4.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 0.7446 -3.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 0.6503 -2.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3399 -0.3149 -2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3823 -1.4525 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 -2.6626 -2.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 -3.5278 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4696 -3.3077 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2284 -3.7866 1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 -4.7932 2.2616 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1550 -6.0723 1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -4.5730 3.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8912 -3.4395 4.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5928 -2.2490 3.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -1.1118 3.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 0.0897 2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2228 1.2051 2.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 2.1691 2.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 1.0435 3.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 1.9935 3.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.5976 4.5021 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1988 2.5969 4.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 3.8535 4.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 4.9546 5.0066 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2073 4.1892 5.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 6.2556 5.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 5.3990 3.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 6.1442 2.5463 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3100 7.6159 2.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 5.3606 2.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8614 5.8835 0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 4.5395 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9198 4.0708 -0.7086 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2222 4.2388 -1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 3.0350 -1.3857 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8077 2.7264 -0.4038 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 3.5959 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 3.3552 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7302 2.1649 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 1.8674 2.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 1.3038 0.4668 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 1.5485 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 0.7011 -1.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 1.9967 -1.4789 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4393 1.7827 -2.8297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 2.6116 -0.7781 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3519 2.4179 -1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 0.3130 4.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 -0.8050 4.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 -0.6079 5.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 -2.1132 4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 -2.5981 3.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -1.7597 2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 -2.3831 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -1.5086 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -2.0213 -1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -3.1882 -2.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -3.1128 -2.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 -2.9943 -1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 -4.0717 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4815 -4.7620 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -3.9114 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -5.7366 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 3.6903 -5.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 4.6859 -4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 5.3625 -5.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 6.2641 -6.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 4.6111 -6.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 5.5924 -3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7411 4.2293 -4.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 3.4793 -7.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 3.7034 -6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 1.3691 -6.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 2.3739 -5.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 2.5190 -4.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 0.0499 -4.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0944 1.4630 -2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 -0.3306 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7658 -1.4412 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 -1.3472 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8237 -2.9177 -2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8761 -4.4061 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -2.3071 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 -3.1468 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 -4.8788 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 -6.4569 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2729 -5.4104 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 -3.3274 5.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1821 -2.3361 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2553 -1.9203 4.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 -0.8427 4.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 -1.3900 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 -0.1138 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 0.4463 3.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 2.0913 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4466 2.9795 3.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 1.5060 5.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 2.2008 5.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 2.5700 3.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 5.9329 6.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 6.0278 2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 3.9662 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 4.3575 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 4.5952 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 3.1032 -2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 4.5359 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 4.0619 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 2.3916 3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4367 1.1195 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 1.0398 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 1.1750 -2.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 2.1830 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 1.6021 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 -2.2079 4.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -2.8602 5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -2.7192 2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 -3.6271 3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2978 -1.5944 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 -0.7601 2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -3.4088 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0555 -2.3957 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6945 -1.1967 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0804 -0.5416 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 -2.2562 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -1.1489 -2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 -3.3554 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 -4.0953 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 -4.0404 -3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 -2.3110 -3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7964 -2.7269 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 -1.9915 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 -4.8973 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 -3.7714 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 -5.4509 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -3.8777 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -4.2873 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 -2.8373 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -5.8358 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 -5.5019 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6255 -6.7918 0.4083 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 2 0 35 37 1 0 35 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 2 0 45 46 1 0 46 47 1 0 46 48 2 0 48 49 1 0 49 50 2 0 42 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 28 55 1 0 55 56 1 0 56 57 2 0 56 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 66 67 1 0 67 68 1 0 68 69 1 0 68 70 1 0 53 40 1 0 49 43 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 6 7 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 1 18 93 1 0 19 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 1 29105 1 0 29106 1 0 33107 1 0 37108 1 0 39109 1 0 39110 1 0 40111 1 6 42112 1 6 44113 1 0 45114 1 0 47115 1 0 47116 1 0 51117 1 1 52118 1 0 53119 1 1 54120 1 0 58121 1 0 58122 1 0 59123 1 0 59124 1 0 60125 1 0 60126 1 0 61127 1 0 61128 1 0 62129 1 0 62130 1 0 63131 1 0 63132 1 0 64133 1 0 64134 1 0 65135 1 0 65136 1 0 66137 1 0 66138 1 0 67139 1 0 67140 1 0 68141 1 0 69142 1 0 69143 1 0 69144 1 0 70145 1 0 70146 1 0 70147 1 0 M END