HMDB0264760 RDKit 3D PA(20:1(11Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 130129 0 0 0 0 0 0 0 0999 V2000 1.6775 0.5232 3.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 2.0373 3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 2.4573 4.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 1.9280 5.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 2.1185 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 3.3567 7.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 4.4662 6.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 5.2332 5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 6.4319 4.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 6.6853 3.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 5.8585 2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8998 5.5412 2.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 4.7633 3.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 3.4181 3.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 2.4310 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 1.8828 1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 2.8368 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8737 2.3326 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6743 1.3196 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 -0.0192 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 -0.5313 0.3596 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -0.8971 -1.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 -2.2125 -1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 -2.9316 -2.8959 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8934 -4.3278 -2.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7913 -4.9987 -3.8147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 -6.5422 -3.5357 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2800 -7.5798 -3.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 -6.6749 -1.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 -6.8833 -4.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -2.2826 -3.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0079 -1.8726 -4.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 -2.0948 -5.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -1.1979 -5.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -0.9060 -5.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.2447 -6.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2647 0.1586 -6.7243 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1568 -0.8548 -6.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6191 1.4677 -6.1315 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6486 2.4346 -6.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 1.4251 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.4301 -3.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 0.5612 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 -0.4248 -1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 -0.2807 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -1.2030 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -2.5014 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 -3.4027 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -4.7397 1.1619 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8669 -4.7236 0.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9179 -5.8078 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 -5.6718 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -5.7169 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -5.5739 -2.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 -6.7231 -2.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 0.0581 3.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 0.1085 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 0.1899 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 2.3840 2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 2.4844 3.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 2.0320 3.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 3.5487 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 0.7812 5.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 2.1618 6.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 1.4415 6.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 1.4718 7.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 3.0378 7.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 3.8321 7.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 5.2753 7.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 4.3021 6.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 4.6318 4.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 5.6471 5.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 7.2011 5.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 7.6583 3.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 6.4184 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 4.9099 2.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 6.5509 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 5.1246 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 5.3488 4.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 4.8556 2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2087 3.5151 4.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 2.9863 4.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 1.5138 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 2.7983 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 1.0925 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6965 1.2868 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0889 3.7611 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 3.3249 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 2.0219 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 3.2671 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 1.7141 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6049 1.3324 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -2.1612 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3025 -2.7486 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.9864 -3.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 -4.2617 -2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5602 -4.8682 -1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 -6.7388 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 -6.1668 -4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 -1.7581 -6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 -0.1939 -6.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -1.8493 -5.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 -0.2239 -4.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 -0.9714 -7.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7819 0.6306 -7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 0.3629 -7.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 -1.5448 -7.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 1.9175 -6.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 2.2846 -5.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.3173 -4.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -0.4867 -4.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 1.4785 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 -1.3263 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 0.6557 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -1.0207 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 -2.7434 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 -3.1384 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -4.9864 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3801 -3.8564 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4689 -6.8310 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -5.7871 1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 -6.5129 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 -4.7368 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -6.7114 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -4.8982 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -4.6181 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 -5.6733 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 -7.5229 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -7.0484 -3.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 -6.3277 -2.4303 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 2 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 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 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 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 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 30 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 6 38107 1 0 39108 1 6 40109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 1 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 55130 1 0 M END