HMDB0113347 RDKit 3D PE-NMe(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) 132131 0 0 0 0 0 0 0 0999 V2000 13.5230 5.1325 2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4905 5.2905 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 4.7192 2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 3.7154 1.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0706 3.0111 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2573 1.5865 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6122 0.6100 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 0.7547 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 0.2503 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 0.9292 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 2.3578 -0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 2.6595 -1.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 2.2672 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 2.9755 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7158 2.6211 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 1.1939 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 0.6187 1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 -0.8418 1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -1.4704 2.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -1.4594 0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 -2.7784 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 -2.8720 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -2.1462 -0.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -2.0470 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 -2.6632 -0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -1.1892 -2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0268 0.2472 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 0.8909 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 0.4291 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 1.4363 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6771 1.0907 2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3407 -0.1870 2.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7314 -0.5107 2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4255 -0.2547 1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7856 1.1395 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0527 1.4943 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1544 0.5368 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1242 0.8561 1.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3695 1.1285 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0561 1.1855 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6893 2.5392 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7598 3.6892 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7468 3.6435 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4254 3.6132 -2.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -3.5665 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -4.8500 -0.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1991 -5.9015 -1.7628 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2755 -5.8169 -2.9479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -5.3500 -2.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 -7.4663 -1.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6733 -7.7305 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8553 -9.1344 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -10.1065 -1.3152 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -10.0779 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3851 5.8188 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8072 4.0622 2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0062 5.4119 3.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3728 6.3977 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9187 4.8196 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7539 5.1554 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6507 3.3809 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 3.1655 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0557 3.3712 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9931 1.3850 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8128 -0.4019 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 1.7111 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0102 0.0103 -1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 -0.8155 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2587 0.4320 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0911 2.7638 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 2.9394 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 3.7306 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4707 2.0481 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 2.5667 -2.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 1.1541 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 4.0703 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 2.8695 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 3.1972 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 2.9778 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 1.1176 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 0.5296 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 1.1562 2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 0.6073 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 -3.2936 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 -3.9174 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 -2.4706 1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -1.5011 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -1.3644 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 0.8522 -2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 0.5072 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0348 0.9917 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 2.0074 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 0.4608 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -0.5563 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 1.4307 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 2.4598 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 1.2388 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3624 1.9195 2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 -0.9818 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 -0.4994 3.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 -0.0151 3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9022 -1.6135 2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1472 -1.0248 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5951 -0.4288 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 1.9590 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3153 2.5689 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6668 0.6677 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8996 -0.5346 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7676 0.8612 2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0103 1.3536 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9679 0.4993 0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5552 0.7741 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3558 2.4513 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3708 2.7120 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3004 4.6698 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1504 3.8081 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1227 4.5820 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0180 2.8240 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7345 4.1445 -3.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4508 2.5659 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4015 4.0941 -2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 -3.0866 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 -3.6140 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -5.8918 -3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 -7.6111 -1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 -6.9704 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -9.2547 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 -9.4085 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -9.9194 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -9.6296 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -11.1268 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -9.5146 -2.5863 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 2 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 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 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 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 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 49124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M END