HMDB0284970 RDKit 3D PE(DiMe(9,3)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 127127 0 0 0 0 0 0 0 0999 V2000 -0.1933 3.0673 5.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 2.9062 6.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 1.4756 6.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 0.8863 7.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 0.0484 6.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -0.3091 7.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -1.2409 6.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -0.5812 6.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 0.3937 5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -0.2722 3.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 0.6966 2.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 0.0966 1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -0.5055 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.1023 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.1144 -0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 0.0367 -1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 0.6145 -0.9891 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 1.5441 -2.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 2.1958 -1.9814 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8939 2.9472 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 3.8609 -0.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 4.7661 0.7534 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4989 4.3152 1.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 4.5433 1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 6.4139 0.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 6.6508 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 8.1653 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 8.5599 -2.2547 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.2490 -2.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 1.3662 -3.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 2.3716 -3.7702 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 0.3751 -3.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0102 0.5226 -4.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6387 0.4246 -5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 1.3904 -6.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 1.2450 -6.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 -0.0766 -7.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 -0.1819 -6.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -1.0797 -5.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 -2.1293 -5.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 -2.1138 -3.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -3.1294 -2.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7286 -4.5203 -3.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -5.1765 -2.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 -5.7823 -3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -5.9395 -4.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -5.5411 -4.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 -4.1886 -4.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 -3.0720 -5.0830 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7674 -2.9872 -6.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 -1.8723 -4.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 0.3287 8.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 0.2122 9.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 1.0954 8.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 1.9641 9.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 4.1050 5.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 2.8134 4.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 2.3600 5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 3.5472 7.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 3.2086 5.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 0.8937 5.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 1.4482 7.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -1.9972 7.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -1.8540 5.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7704 -1.4045 5.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 -0.1744 7.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 1.2549 5.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 0.7613 4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -1.1266 3.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -0.7045 4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 1.1070 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 1.5852 3.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 -0.7077 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 0.9046 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -1.2991 2.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.2793 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0455 -1.5734 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -1.8927 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 1.0980 -3.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 2.2873 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 2.9675 -2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 2.2524 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 3.4888 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 5.4178 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 6.2859 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 6.2120 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 8.5393 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 8.6294 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 7.9436 -2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 8.5501 -3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 -0.6833 -3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 0.3920 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7765 -0.3312 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6541 1.4513 -3.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6079 0.5241 -6.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -0.6494 -5.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 2.4670 -6.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 2.1642 -7.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 -0.8344 -6.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -0.0762 -8.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.5836 -6.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.0412 -5.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 -2.1918 -5.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -3.1009 -5.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -1.1215 -3.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -2.8764 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -5.0812 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -4.6930 -4.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -5.1336 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -6.2109 -2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -7.0235 -4.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -5.3076 -5.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 -6.3037 -4.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 -5.6355 -6.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -4.0435 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -4.0322 -4.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 -3.0871 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 -2.9817 -6.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -3.7530 -7.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.9990 -6.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -1.1645 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -0.8485 9.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 0.5505 10.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 0.8231 9.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 2.3774 9.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 1.4503 10.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8176 2.8391 9.5022 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 6 52 2 0 52 53 1 0 52 54 1 0 54 55 1 0 54 4 2 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 18 79 1 0 18 80 1 0 19 81 1 6 20 82 1 0 20 83 1 0 24 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 6 50118 1 0 50119 1 0 50120 1 0 51121 1 0 53122 1 0 53123 1 0 53124 1 0 55125 1 0 55126 1 0 55127 1 0 M END