HMDB0115375 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) 143142 0 0 0 0 0 0 0 0999 V2000 17.3530 3.9048 -2.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0919 2.7284 -3.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0013 1.4941 -2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5511 1.0601 -2.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4880 -0.2183 -1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0681 0.0182 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4988 -0.1177 1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1631 -0.5351 1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 -0.9497 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0341 -0.3697 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6112 0.8259 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3930 0.4589 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 0.9825 1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8281 2.0888 0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.9276 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 0.8826 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 -0.4738 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 -1.1631 0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 -0.7482 1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4179 0.5621 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 0.4265 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -0.5150 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -1.7169 0.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -0.0867 2.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 -0.7523 2.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5723 -1.4383 2.4572 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6744 -2.6565 1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5348 -3.6205 2.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -4.9854 1.0799 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8638 -4.5045 -0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 -5.7399 1.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7754 -6.0703 1.5215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -0.5193 1.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -0.2791 2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -0.9163 3.5464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 0.6135 1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -0.1712 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -1.4396 1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8828 -2.3087 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2996 -2.1365 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0471 -0.9175 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9926 0.1143 1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7848 1.3662 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2441 1.2596 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0576 0.4388 0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9954 0.7512 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9007 -0.2124 -1.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8755 0.1194 -3.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7082 -0.7983 -3.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7219 -0.4578 -4.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2320 0.9085 -4.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6956 0.9834 -4.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9195 0.6476 -2.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2201 1.6178 -2.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4853 1.2362 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7864 2.2527 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0262 1.9183 1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5057 1.9460 2.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2681 3.7342 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5681 4.8284 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7259 4.1274 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6374 2.4881 -4.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1794 2.9761 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5072 1.7247 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5853 0.6862 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0203 1.9031 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1461 0.8337 -3.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2199 -0.9071 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5387 -0.7042 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1481 0.3545 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1561 0.1345 2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3631 -1.4386 2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7573 0.1976 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3465 -1.8713 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3084 -0.7212 -0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3283 1.2430 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4364 1.6100 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5429 -0.3961 2.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 0.5586 2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 3.0211 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7622 2.5015 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4912 2.8887 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3507 1.0464 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -0.6705 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 -1.1274 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4122 -2.2335 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3595 -1.4803 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 0.8606 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 1.3946 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 1.4096 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2847 0.1069 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 0.0052 3.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 -1.4713 3.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 -1.7556 3.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 -2.4536 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 -3.1812 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 -6.1647 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 -5.8138 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 1.4470 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 0.9893 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 0.4163 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 -0.4659 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -1.1841 2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -2.0365 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4101 -2.4370 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7303 -3.4100 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -2.9554 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7845 -2.5482 1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6109 -0.4537 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0792 -1.1382 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0324 0.3532 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5001 -0.4651 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4293 1.8304 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 2.1361 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6953 2.3239 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4918 0.8811 2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0466 -0.6174 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1671 0.7046 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4458 1.7614 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9874 0.7850 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6230 -1.2643 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9470 -0.1088 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0423 1.1801 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8079 -0.0611 -3.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3871 -1.8787 -3.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2543 -1.2767 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6583 1.6238 -4.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2459 1.1937 -5.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2629 0.2385 -5.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0881 2.0207 -4.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0174 0.7111 -2.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6391 -0.4054 -2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6755 2.6326 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1444 1.7345 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5862 1.2401 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1000 0.2196 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7166 2.2578 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2484 3.2465 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5239 2.6682 2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6346 0.8941 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6754 2.1584 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9836 1.0004 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9802 2.7997 1.4827 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 32 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 58143 1 0 M END