HMDB0268057 RDKit 3D PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-19:0) 127126 0 0 0 0 0 0 0 0999 V2000 16.0379 2.0712 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7487 2.6891 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2176 2.1403 1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9316 0.6554 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8903 0.3906 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 -1.0670 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4628 -1.6111 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 -0.8507 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6407 -1.1830 2.6394 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6174 -0.8553 3.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 -0.5183 2.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 0.3105 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5218 0.9144 2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 1.7435 1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 2.2778 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 1.9621 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 1.3294 -1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 0.8406 -2.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2742 -0.6780 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.1920 -3.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -0.9306 -2.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 -0.3958 -1.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 -1.3021 -3.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 -1.1342 -3.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.8238 -1.7782 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2659 -3.2970 -1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -3.4580 -2.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 -5.1001 -2.2244 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7867 -5.9336 -2.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -5.6952 -0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -5.2930 -3.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 -1.5414 -1.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 -0.7365 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.2177 0.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -0.4721 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -1.4500 -1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 -1.3502 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 -1.5165 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7939 -1.4598 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 -0.2164 -1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 1.0522 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6437 1.3170 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1039 1.2742 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7197 -0.0519 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2270 -0.0371 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9538 0.8149 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4375 0.8371 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8319 1.3943 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3593 1.3312 1.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7810 1.8967 2.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2950 1.8456 2.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3795 3.3730 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1496 1.0041 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9138 2.5892 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1296 2.1484 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8656 3.7880 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9923 2.5825 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2539 2.6409 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9811 2.3274 2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4632 0.3553 2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8155 0.0329 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0114 0.9562 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3056 0.6664 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4718 -1.7644 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 -2.7195 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 0.2199 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4627 -1.2231 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5178 -2.3101 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6514 0.1361 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8887 -0.6846 3.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3158 0.3918 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 0.6569 3.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8409 2.1006 2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 3.4333 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 2.1905 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2715 2.3401 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3478 1.1309 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2286 1.1053 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 1.2887 -3.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 -1.1524 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -0.9723 -2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 -2.2957 -3.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -0.7493 -4.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -0.0444 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -1.4737 -3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 -1.3535 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 -3.6302 -2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 -3.8952 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 -5.2207 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 -6.2018 -3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 -0.7738 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 0.5774 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -1.3007 -2.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 -2.4737 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7408 -0.4419 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 -2.2080 -2.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -2.5420 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 -0.8368 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4329 -1.7106 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -2.3135 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6101 -0.1140 -2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3079 -0.3052 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4791 1.8654 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9805 1.3542 -1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 0.6776 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 2.3680 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5639 2.0480 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2899 1.7173 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3277 -0.6671 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5661 -0.6686 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5676 -1.0862 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3905 0.2563 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5383 1.8535 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8243 0.3811 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9013 1.4820 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7999 -0.2061 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4726 2.4328 1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4583 0.8440 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6729 0.2747 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7268 1.9688 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3039 1.3904 3.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5623 0.7757 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6744 2.2331 3.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7263 2.4551 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0782 3.8777 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3570 3.5021 3.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4827 3.8264 1.6838 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 1 0 9 11 1 0 11 12 2 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 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 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 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 6 10 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 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 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 1 26 87 1 0 26 88 1 0 30 89 1 0 31 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 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 51122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 52127 1 0 M END