HMDB0268117 RDKit 3D PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-19:0) 129128 0 0 0 0 0 0 0 0999 V2000 -17.8092 0.6369 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6574 -0.6465 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8528 -1.6651 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7457 -2.1420 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0941 -1.8012 2.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7481 -1.2978 2.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9150 -1.0422 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2575 -1.2350 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4995 -2.3217 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7115 -2.1855 -1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4118 -0.9770 -2.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0751 -0.4286 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9969 -0.7938 -1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8708 -1.8495 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 -2.1429 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -1.5327 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -1.4985 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2159 -0.1581 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7528 0.0900 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9274 0.3343 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3622 0.3937 2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 1.7841 2.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 1.7334 2.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8757 0.6122 2.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.8490 2.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 3.0658 2.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5606 2.7845 1.7777 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4469 1.3704 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 1.2000 0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2307 -0.3904 -0.3492 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4101 -1.2398 0.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -1.0468 -0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 -0.3651 -1.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 3.0158 2.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 3.7626 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 4.3099 0.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 3.9783 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 4.4874 0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1784 3.5138 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 2.1777 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8239 1.1754 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 1.5741 -1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1868 1.7419 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 0.5334 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 -0.7107 -0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9872 -0.5835 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -0.2238 -1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4679 -0.1052 -1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8210 -1.4215 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0191 -2.5053 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1083 -2.1794 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4706 -2.0141 -1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0077 -3.2244 -1.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4022 -1.6010 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7073 1.1935 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0697 0.4215 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9009 1.2587 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7337 -1.0775 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4929 -0.4677 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2263 -2.0305 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2643 -2.9510 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7770 -1.0860 3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1917 -2.7256 3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3323 -1.0828 3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8848 -0.6568 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2766 -1.0696 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7716 -0.2395 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5649 -3.3560 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2417 -3.1412 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6818 -1.1933 -3.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1487 -0.1292 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9887 0.4512 -3.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0892 -0.2147 -2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7232 -2.4584 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8183 -3.0250 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -2.1889 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4142 -2.2475 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7295 0.5888 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5177 -0.1351 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 0.0485 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 0.5041 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 0.1605 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -0.3055 2.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 2.5792 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 2.0109 3.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 4.2151 3.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 2.6252 3.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 3.4496 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 1.2443 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 0.6706 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.0344 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 -0.1598 -2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 3.0118 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 4.6808 2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 5.4237 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 4.7181 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 3.4677 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 3.9241 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 2.3513 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.7466 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 0.1411 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 1.0976 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 2.5368 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 0.8242 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0488 2.0072 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0594 2.6043 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 0.7601 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7179 0.2954 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0238 -1.5279 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8985 -1.0540 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7276 0.1451 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1281 -1.6322 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 0.8155 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3018 -0.8673 -0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2743 0.6073 -2.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2673 0.3096 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9498 -1.7164 -3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6842 -1.2793 -3.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1661 -3.4622 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0681 -2.5911 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -1.2035 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 -2.9154 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 -1.1672 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7723 -3.2747 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1371 -3.2397 -1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 -4.1936 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1108 -0.8077 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9919 -2.4985 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8375 -1.2783 0.9136 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 2 0 15 16 1 0 16 17 1 0 16 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 27 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 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 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 6 28 89 1 0 28 90 1 0 32 91 1 0 33 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 M END