HMDB0278333 RDKit 3D PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 145145 0 0 0 0 0 0 0 0999 V2000 -7.7377 -2.3881 2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2192 -2.5529 2.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5548 -1.5046 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 -1.7185 0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -3.1025 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6558 -3.1976 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 -3.4040 -2.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 -3.5589 -1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0132 -4.9339 -2.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -5.1192 -3.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 -4.0143 -3.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -4.0101 -5.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -4.1633 -6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -4.3580 -5.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -3.2343 -6.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -2.3831 -6.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -2.4578 -4.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -2.6693 -4.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 -1.8350 -3.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 -0.5926 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 -0.6382 -1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 0.5451 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 0.9057 0.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 1.2961 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 2.4405 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 2.8499 -1.0496 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7937 3.9894 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 4.2447 -0.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 5.5705 -0.1885 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1389 5.5047 1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 6.9466 -0.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 5.7871 -0.6778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 4.6796 -0.5679 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7303 4.8502 0.3749 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5029 4.1904 1.5985 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 4.3629 -0.1515 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7203 5.3146 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 3.0590 -0.8789 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3941 2.1180 0.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 3.1325 -2.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6434 3.1958 -3.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 4.3448 -1.9753 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6364 5.4905 -2.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.6314 -0.9214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 1.0006 -2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 1.5425 -3.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 -0.2659 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -1.2535 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -0.9144 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 -2.0913 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 -2.0269 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -3.2277 2.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 -3.7047 3.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 -3.1948 3.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2893 -1.8993 2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -1.0519 3.6342 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2803 -1.6296 3.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 0.3365 3.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 1.1274 3.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 0.5883 4.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 1.3033 4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 2.7115 4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 2.9865 3.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 2.5116 4.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 3.1241 5.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 2.5261 5.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9892 -1.3291 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 -2.7954 3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0431 -2.9136 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 -3.5884 2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -2.3416 3.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7835 -0.4398 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2598 -0.8840 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9527 -3.8627 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -3.3482 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7151 -3.0866 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 -3.4764 -3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -2.7400 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0864 -3.6315 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 -5.7912 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -6.1589 -3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -3.0094 -3.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 -4.1795 -3.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 -3.8724 -5.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 -4.1462 -7.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -4.6841 -5.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 -5.2601 -6.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -3.1044 -7.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -1.5973 -6.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -3.3613 -4.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -1.6130 -4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 -3.5958 -4.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -2.0428 -3.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 0.2256 -3.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -0.2698 -3.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 -0.8321 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 -1.5789 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 2.2347 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 3.2340 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 3.0961 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 3.7834 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 4.9158 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 7.1053 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 3.8304 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 5.9438 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 4.2826 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6911 4.1384 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 5.1570 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 2.7584 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7779 2.2534 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 2.2345 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0001 2.3259 -3.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 4.1369 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 5.5904 -3.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -0.1358 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -0.7815 -3.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9344 -1.4776 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.1845 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -0.7473 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 0.0137 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -3.0555 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -1.0463 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -4.0885 2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 -3.2380 3.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -4.7449 3.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -3.7661 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 -2.1349 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -1.2841 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -1.2070 4.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -2.3453 4.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 0.7608 2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 2.1572 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -0.4715 4.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 0.7958 5.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 3.2892 5.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 3.1596 3.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 4.1146 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.6311 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 1.4053 4.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 2.7282 3.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 4.2167 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 3.0655 6.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 1.5408 6.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 3.1758 6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 2.3087 5.0286 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 42 33 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 31103 1 0 33104 1 1 34105 1 1 35106 1 0 36107 1 1 37108 1 0 38109 1 6 39110 1 0 40111 1 6 41112 1 0 42113 1 6 43114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 1 57130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 0 62135 1 0 62136 1 0 63137 1 0 63138 1 0 64139 1 0 64140 1 0 65141 1 0 65142 1 0 66143 1 0 66144 1 0 66145 1 0 M END