HMDB0263486 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(17)/17:0) 121120 0 0 0 0 0 0 0 0999 V2000 -14.0542 -3.5984 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7611 -2.8181 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7108 -1.8607 2.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4326 -1.0431 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3041 -0.2325 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0556 0.6066 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8187 -0.2223 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5814 0.6394 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4024 1.7236 1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 2.5378 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0132 3.3806 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0166 2.7944 -1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9591 1.7272 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2389 1.1868 -2.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3988 0.1072 -3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.3213 -3.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 0.6332 -2.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 1.3640 -2.6206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3303 0.2098 -1.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3939 0.5717 -0.1535 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8403 -0.5925 0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -1.5390 -0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 -1.2940 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -0.1462 -1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 -2.4111 -1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 -1.9720 -3.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 -1.3445 -2.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -2.2065 -1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -1.9588 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -0.7893 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6012 0.2235 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8194 0.3084 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4809 -0.6574 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 0.0366 -2.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 0.0826 -2.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2747 -0.4458 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5177 -1.2363 -1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3030 -0.8713 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 0.3970 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5182 0.0990 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8066 -0.6417 -1.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8971 -0.7116 1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5524 -0.0281 2.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9897 -0.9370 3.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 1.5879 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 1.9265 1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 3.0327 2.8538 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7273 2.4132 4.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 3.4660 2.3788 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 4.4224 2.9726 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8677 -4.5861 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4669 -3.8149 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7718 -3.0311 1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7622 -2.2830 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9312 -3.5301 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5694 -1.1809 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7107 -2.4856 2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5694 -1.7458 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4692 -0.3699 2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2274 -0.9540 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1656 0.4393 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0410 1.3715 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0700 1.0875 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7357 -0.7700 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7839 -0.9706 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4886 0.9184 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7244 -0.0845 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3299 2.3539 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3366 1.2141 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1186 3.2472 2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3065 1.8597 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8644 4.1490 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1088 4.0589 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9814 2.6180 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 3.6814 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 2.2535 -1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 0.9936 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2343 2.0195 -3.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3199 0.8216 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5782 -0.8259 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8845 -0.2551 -4.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -0.5675 -4.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 1.1530 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.1293 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.1646 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 -1.0787 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 -3.1664 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 -2.9012 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -2.8236 -3.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.2195 -3.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -1.0735 -3.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 -0.3758 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -3.1670 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 -2.7888 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 -1.1475 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -0.2517 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 1.0600 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 1.1729 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 -1.6202 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 -0.7896 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 0.5214 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0668 0.6759 -3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6103 -1.1513 -3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 0.3572 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0744 -2.2592 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4536 -1.5341 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8977 1.0887 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7395 1.0168 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1087 1.0334 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9224 -1.5981 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4792 -1.7176 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0075 -0.8086 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1644 0.9045 2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4784 0.1642 2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0934 -1.2185 4.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4264 -1.9016 3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6934 -0.4423 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 2.4759 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8595 1.0881 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4101 4.4362 2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 5.0486 2.2364 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 1 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 2 0 17 19 1 0 19 20 1 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 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 20 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 20 84 1 6 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 50121 1 0 M END