HMDB0289394 RDKit 3D PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/DiMe(9,5)) 143143 0 0 0 0 0 0 0 0999 V2000 0.4041 10.0903 7.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 9.0976 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 7.7687 7.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 6.6469 7.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7894 6.5032 5.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 5.3759 5.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1753 4.1983 4.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 3.3869 4.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 1.9831 4.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 1.8461 2.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 2.2989 1.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 2.0124 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 2.7604 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 2.3908 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 3.1257 -2.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 2.6344 -3.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3312 1.1806 -3.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 0.4589 -4.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.6666 -2.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 -0.6266 -2.0450 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5402 -0.5225 -1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 -1.7509 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1925 -1.5748 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6035 -0.3968 0.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 -2.6713 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -4.0523 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -4.3886 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -5.8362 -1.1607 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0858 -6.6236 -0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 -6.3840 -2.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3732 -5.6263 -3.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5189 -6.2525 -4.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 -5.5556 -5.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3868 -4.1044 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 -3.4861 -6.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 -2.5910 -6.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1329 -2.0617 -4.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9585 -1.1445 -4.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 -0.5587 -2.9866 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7989 0.4152 -3.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1417 0.0661 -2.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2522 0.7082 -1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 1.8378 -1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 2.4146 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5936 3.5585 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7957 -1.2284 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 -2.5328 -0.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -3.1687 0.1133 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8048 -4.6669 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 -2.8510 1.7539 O 0 0 0 0 0 1 0 0 0 0 0 0 3.2769 -2.5251 -0.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 -3.4092 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1301 -2.9463 -1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.9238 -2.8516 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6631 -3.3987 -3.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1908 -5.0799 -2.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 -4.3669 -3.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 4.1063 4.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 3.6500 4.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 5.3568 5.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9078 6.4763 5.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 11.0574 7.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 9.7080 7.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 10.2461 8.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 9.5022 7.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 9.1241 6.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 7.9196 8.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 7.5375 7.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 5.7200 7.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 6.9525 7.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 6.2708 5.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 7.4202 5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 1.3860 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 1.5526 4.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 0.8240 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 2.5041 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 3.4235 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 1.8095 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 2.4110 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 0.9297 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 3.8531 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5865 2.5015 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1241 1.3120 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 2.6268 -2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 4.1955 -2.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 3.1352 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 3.2511 -4.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 2.6383 -4.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -1.2737 -2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 -0.0176 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.1341 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -2.4746 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 -2.5798 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 -4.7619 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4768 -4.2485 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -3.7262 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7032 -4.2856 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 -6.0393 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 -6.7924 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 -7.4740 -2.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 -4.5659 -3.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 -7.3473 -4.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 -6.1180 -6.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.8836 -6.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 -3.5989 -5.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 -3.8212 -7.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1494 -2.2165 -6.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3539 -2.3809 -4.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7624 -0.8222 -5.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5641 -1.3968 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6988 0.7852 -3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4031 0.8179 -3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9775 -0.6834 -2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -0.0438 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3020 1.1164 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 1.4699 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4435 2.6439 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 1.6459 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6054 2.7743 0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6681 4.2330 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8426 4.1201 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 3.1941 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 -0.5827 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 -1.1519 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -3.4043 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -4.4287 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8596 -2.7128 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -2.0061 -2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -3.0123 -4.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2683 -2.6111 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 -4.2272 -4.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 -4.7981 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 -5.7754 -2.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4366 -5.6045 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 -3.4520 -4.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -4.8117 -4.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -5.0412 -3.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9546 3.9670 3.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3889 4.1406 4.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 2.5399 4.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 7.3901 4.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 6.6809 6.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 6.1698 4.8256 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 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 20 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 20 89 1 6 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 1 29 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 1 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M CHG 2 50 -1 54 1 M END