HMDB0265047 RDKit 3D PA(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 124123 0 0 0 0 0 0 0 0999 V2000 -18.0122 -0.8915 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7258 -0.0307 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6594 -0.5661 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3160 -0.8328 1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4578 0.2287 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9624 0.9429 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3858 0.9587 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1366 0.2645 -1.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0976 1.1766 -2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 1.3459 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4112 0.6216 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9923 1.5463 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7406 1.5795 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6576 0.7108 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 -0.2023 1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0897 -1.1781 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 -0.8534 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -0.0084 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 -0.0338 -1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 0.4475 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 0.9906 0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 0.2928 -1.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 0.6716 -0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 0.2369 -1.6137 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9975 -1.1951 -2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 -2.1112 -1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 -3.6711 -1.6227 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5233 -3.8266 -2.9966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5017 -4.8123 -0.5294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -3.8644 -1.7615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 0.4586 -1.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.3353 -1.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 1.9523 -2.8847 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 1.5816 -1.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 0.2966 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 0.2870 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1652 1.2802 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6454 0.9810 1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8807 -0.3109 2.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 -1.5447 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3517 -2.5079 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 -2.5516 1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4149 -2.6963 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -1.8533 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6847 -0.6822 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5711 0.1325 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0340 1.3448 0.4596 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6249 1.0012 1.6513 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8795 2.1813 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0975 1.4944 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0692 1.0181 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5841 2.1633 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5741 1.6243 1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7926 -0.3635 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4586 -1.8744 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1306 -0.9650 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7309 1.0070 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7262 -0.1459 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0497 -1.4638 2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5369 0.1939 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3548 -1.7005 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7156 -1.3451 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3799 1.0218 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3844 -0.0800 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8948 1.5392 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8681 1.5371 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8414 -0.5135 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4253 -0.3457 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3573 1.7943 -3.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2116 2.0883 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6661 -0.1153 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2663 -0.0132 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7226 2.1953 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4702 2.2640 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8155 1.4753 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8579 0.2752 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8262 -0.6833 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.4035 2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8964 -1.9566 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -1.8958 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1661 -0.3139 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 -1.7876 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 1.1003 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 -0.3202 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 -1.1048 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 0.5142 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 0.1690 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 1.7679 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 0.8591 -2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 -1.2538 -2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -1.3999 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -4.4303 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1894 -2.9653 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 1.8491 -2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 2.3868 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6329 0.0170 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 -0.5005 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.6751 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2366 0.7455 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 2.3854 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9137 1.8926 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9984 -0.3667 2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 -0.3220 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4618 -1.7490 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9338 -3.4183 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0116 -3.5523 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -1.8203 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0974 -3.5885 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6733 -2.0173 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3547 -0.4006 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9335 -0.0942 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1147 1.9374 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4971 0.0206 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1748 3.1013 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2446 2.4299 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6356 2.2587 -1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8115 0.6996 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9085 0.4928 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6481 0.2628 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 2.6714 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1436 2.8671 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3613 2.3826 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0404 1.3467 2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0003 0.6670 1.4565 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 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 1 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 53124 1 0 M END