HMDB0114535 RDKit 3D PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -11.6447 6.2535 3.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9994 5.5346 2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6999 4.0893 2.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9843 3.1949 1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1815 3.5453 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7432 3.4414 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9142 2.6811 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1102 1.7366 -1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3592 1.5315 -2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1129 0.4875 -2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9331 -0.7851 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8378 -1.1736 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0085 -2.2366 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1476 -3.1203 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1456 -3.4936 -2.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8832 -3.3112 -2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 -2.5740 -2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 -1.5291 -2.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1635 -0.2824 -2.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 0.2701 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 0.8010 -0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 -0.4479 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -1.1836 0.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -0.8121 -1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9099 -1.9541 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -2.0952 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 -3.4171 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 -3.2776 -1.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 -4.5835 -1.5693 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0583 -5.0693 -2.9827 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -4.0880 -1.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -5.8912 -0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -6.8109 -0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 -7.9599 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -7.5569 1.3666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 -6.7484 2.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4591 -7.1655 1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 -1.0323 0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -0.1838 1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0017 -0.3047 2.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 0.9343 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 0.6148 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 -0.6466 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -0.6486 2.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 0.3054 2.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 0.2993 1.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 0.7835 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9671 0.5526 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0881 1.1936 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 2.6597 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 3.4322 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 2.8858 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4844 3.1700 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 2.5463 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 2.7083 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3041 4.1474 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5989 4.4882 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8008 3.9592 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0075 2.4883 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3168 7.1317 3.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5933 6.5538 3.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8378 5.5542 4.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1167 5.6422 2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5693 6.0129 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2732 3.6800 3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6234 3.9268 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0690 3.2632 1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7150 2.1598 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3762 4.6670 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6073 3.1077 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3175 4.1090 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8223 2.7539 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5960 0.7550 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3488 2.1377 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7024 2.4100 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0692 0.6190 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1104 -1.5611 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9466 -1.0262 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6176 -0.5887 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2450 -2.3687 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1050 -2.9567 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4524 -4.1584 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5613 -4.1475 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3997 -3.7818 -3.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -2.1951 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -3.3534 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 -1.8779 -3.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6142 0.4535 -3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2619 -0.3924 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3193 1.1809 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 1.5566 -1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 1.2171 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 -1.9620 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 -2.9022 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 -2.1005 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 -3.5904 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 -4.1959 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -3.3343 -2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 -7.1894 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -6.3622 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -8.4458 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4765 -8.7458 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -6.9898 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 -7.0525 3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -5.6619 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -8.0143 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 -6.2617 0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 -6.9777 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 1.8609 1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 1.0650 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 0.5252 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 1.4504 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 -1.0232 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -1.4990 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -1.7233 2.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 -0.6375 3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 0.1324 3.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 1.3714 2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3418 0.9474 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 -0.7199 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 1.9334 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 0.5142 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 -0.5616 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 0.7969 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 0.8114 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 0.7916 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 3.1396 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 4.5325 0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 1.8840 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1944 3.5332 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6347 4.2823 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 2.7266 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6112 3.0376 -1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4308 1.4838 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9457 2.2296 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6816 2.1536 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 4.6313 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2595 4.5901 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5422 4.1452 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6333 5.6237 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8460 4.3203 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7292 4.4182 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9302 2.0289 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4240 1.9243 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0919 2.2294 0.2780 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 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 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 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 49126 1 0 50127 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 59143 1 0 59144 1 0 59145 1 0 M END