HMDB0283167 RDKit 3D PS(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:2(13Z,16Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -2.3780 -4.5331 -5.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -5.3217 -5.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -4.3545 -5.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -4.2056 -4.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -4.9515 -3.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 -3.9544 -2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -4.6162 -0.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -3.0988 -2.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 -1.8908 -2.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 -1.1023 -2.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 0.0937 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 1.0547 -3.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 2.2895 -2.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 2.8793 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9427 2.3451 -1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 2.1254 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0395 0.9861 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -0.3366 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -1.3290 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 -2.3862 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0348 -2.7151 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 -2.7454 3.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 -3.7529 3.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 -4.8997 4.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -3.4722 4.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 -4.3290 4.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 -3.5664 4.4391 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7659 -2.2056 5.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -1.3865 4.7647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.1349 5.4506 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1808 0.2754 6.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 0.2766 5.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 1.2791 4.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8607 2.5590 4.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 3.5702 3.6575 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0940 3.2586 2.4279 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 4.9639 4.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 5.4312 5.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 5.7641 3.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -4.1788 4.9677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 -4.5016 4.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -4.1922 2.9451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 -5.1281 4.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 -4.9384 3.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -3.4788 3.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 -3.2215 2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -1.7034 1.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -1.3354 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 0.1784 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9683 0.5827 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 2.0855 -0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7041 2.5609 -1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6442 4.0531 -2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3861 4.4890 -3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 5.2440 -4.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 5.8178 -4.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8671 5.6068 -5.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 5.0690 -5.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 4.5016 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 3.1478 -5.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 2.0538 -5.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 1.7165 -4.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 0.5578 -4.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 -5.2227 -5.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 -4.3152 -4.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -3.6128 -6.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -5.9175 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0551 -5.9734 -6.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -3.7255 -6.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -3.4510 -4.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 -5.6429 -3.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -5.5291 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -3.3607 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -4.0387 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 -3.5001 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -1.5100 -3.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 -1.4729 -2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 0.4545 -3.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 1.3525 -4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 0.6189 -3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 2.7928 -2.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 3.8058 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 1.4318 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 3.1679 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 3.0366 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9447 1.0267 2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -0.2365 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3673 -0.5764 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -1.1683 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -3.1175 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1501 -3.8228 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 -2.2538 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1584 -3.0976 3.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9474 -1.7471 3.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8505 -5.2963 3.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -4.5406 5.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 -3.3880 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -1.7182 4.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -2.3312 6.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -0.2053 6.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 2.5903 4.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 2.8099 5.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3205 3.4023 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 2.3696 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 3.2439 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 5.3008 2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 -4.5928 5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 -6.2252 4.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 -5.4539 3.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -5.3604 2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 -2.9140 3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 -3.0312 4.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7523 -3.6851 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1158 -3.5831 2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 -1.2576 2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 -1.2686 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1739 -1.6661 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -1.7659 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5418 0.6715 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0764 0.4973 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 0.0604 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0031 0.3042 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 2.4243 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3876 2.5213 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5231 1.9754 -2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8091 2.3521 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 4.3316 -2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0471 4.5893 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4414 4.1627 -3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5625 5.5095 -4.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 6.9608 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 5.6839 -3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4531 5.9905 -6.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 5.0326 -6.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 5.1717 -4.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 4.5298 -3.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 2.8739 -4.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 3.2181 -5.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 2.1895 -6.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6567 1.0821 -5.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 1.4622 -3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 2.6285 -4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 0.0607 -3.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 0.9511 -5.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4038 -0.1760 -5.2166 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 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 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 6 28 98 1 0 28 99 1 0 32100 1 0 34101 1 0 34102 1 0 35103 1 6 36104 1 0 36105 1 0 39106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 62141 1 0 62142 1 0 63143 1 0 63144 1 0 63145 1 0 M END