HMDB0265095 RDKit 3D PA(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 122121 0 0 0 0 0 0 0 0999 V2000 14.7893 -0.5379 -2.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5809 0.8851 -3.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6985 1.7663 -2.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5276 2.8244 -2.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2665 3.3344 -1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4525 3.3535 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 2.6740 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 1.8100 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 0.3730 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8937 -0.2176 0.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 -0.3646 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4953 -0.1763 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -0.8934 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 -0.7105 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1833 0.1438 3.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2463 1.2311 3.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 1.6462 2.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 1.0706 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.5098 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 -0.0824 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -0.6379 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -1.3039 -1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 -0.4652 0.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -0.9160 0.4995 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1984 0.1700 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 -0.3955 0.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0864 -1.3702 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 -1.8677 -1.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -1.7596 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 -2.9946 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 -2.9641 -1.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1684 -1.9618 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5167 -2.2155 -1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6186 -1.3302 -2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4200 0.0958 -1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1805 0.8832 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3948 0.4357 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5653 1.1774 -1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6401 0.6444 -1.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8168 -0.7702 -1.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8918 -1.4371 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7367 -0.9530 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9196 0.3912 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3211 0.9208 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4712 2.3180 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8612 2.8224 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8499 1.8421 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -1.8083 1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 -1.1499 2.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -2.1661 4.1946 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1024 -1.3292 5.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 -2.8344 4.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 -3.3614 3.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2111 -1.2078 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8191 -0.9558 -2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5103 -0.5775 -2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6564 0.7932 -4.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5784 1.2539 -3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7325 1.5350 -3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4257 3.4250 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1565 4.4213 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4317 2.7428 -1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2544 3.9536 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8885 2.7423 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 1.8222 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6650 2.2063 0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9070 0.4776 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4759 -0.6450 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3614 -1.0574 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 0.5255 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -1.5909 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3452 -1.3258 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2207 0.6071 3.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 -0.5049 4.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 1.8321 4.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 2.5332 2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 2.0379 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8755 0.5635 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 -0.2063 1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 1.3353 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 0.6907 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 -0.8642 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -1.5529 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 0.8248 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 0.7638 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1301 -0.8921 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -1.8451 1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 -3.3207 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2186 -3.8117 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -2.8177 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 -3.9723 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 -0.9120 -2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 -2.0976 -3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5223 -2.1874 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8146 -3.2648 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5645 -1.7437 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6323 -1.4910 -3.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5396 0.5480 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9511 1.9788 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3231 0.8255 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4989 -0.6378 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5269 2.2824 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4013 1.3650 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8372 -1.3108 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9909 -0.9326 -2.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9893 -2.5722 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4856 -1.7179 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2101 1.1417 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9063 0.3036 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4586 0.9051 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0634 0.2552 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4443 2.2698 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6665 2.9935 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0585 3.8483 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0147 2.7420 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4993 1.5390 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9615 0.9301 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8199 2.3591 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.1783 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -2.7415 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5445 -3.2916 4.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -3.4959 4.3668 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 52121 1 0 53122 1 0 M END