HMDB0113687 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -3.6003 -9.9611 2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 -9.0164 2.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4374 -9.3738 3.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5248 -8.5685 4.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 -7.1947 5.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0173 -6.2001 5.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2523 -5.2292 4.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5048 -4.9607 3.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4344 -5.0552 2.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6811 -4.0925 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 -2.7926 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2634 -2.4756 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0124 -2.2149 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 -2.1914 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.8446 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -0.6984 1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 -1.7119 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 -2.0142 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -1.4605 3.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.3971 4.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 0.9086 4.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 1.5228 3.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 0.9793 2.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 2.7959 3.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 3.5318 2.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 4.9024 3.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 5.6492 3.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 5.6215 1.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 6.3625 1.8202 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2410 6.4022 3.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2123 7.9376 1.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 5.5011 0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 6.1378 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 5.3470 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 4.0330 -1.7679 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 3.2473 -2.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 5.6425 2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 6.2321 2.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 6.0965 3.9901 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 6.9852 1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 7.1216 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 5.8312 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2283 5.0103 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 3.7349 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 2.8259 -0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8618 1.5626 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 0.7632 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9738 -0.4874 -2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 -1.3157 -1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 -1.6582 -2.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 -1.2507 -3.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -2.4238 -4.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.6523 -5.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 -1.7968 -5.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 -1.2434 -6.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 -0.3763 -6.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 0.2252 -8.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 1.0779 -7.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0404 -10.9070 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 -9.5513 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 -10.1273 3.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 -9.2061 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 -7.9981 2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8993 -10.3953 3.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0766 -8.9849 5.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3613 -7.1810 6.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -7.0446 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6259 -6.2894 6.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0702 -4.5251 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0063 -3.9988 3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6896 -5.6836 2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9498 -6.0419 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 -4.2010 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9216 -2.0531 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5869 -2.4655 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 -2.4673 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 -1.9986 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -2.9409 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 -2.5304 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 0.0461 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 0.3803 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.4114 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 -2.7245 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 -2.8362 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -1.8294 4.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -0.7685 5.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -0.2990 3.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 1.5662 4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3587 0.7686 5.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 3.0754 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 3.6476 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 4.8478 4.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 5.0667 3.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 6.6492 3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 7.9374 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 6.3019 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 7.1463 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 5.8299 -2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 5.2015 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 4.1589 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 2.4512 -3.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 2.7249 -2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 3.8095 -3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7138 6.5618 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 8.0284 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 7.7324 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 7.7538 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 5.2597 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 6.1115 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9751 5.6196 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 4.8437 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 3.2188 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8706 3.9695 -2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 2.5855 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 3.3819 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 1.8854 -2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 0.9766 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4401 0.4475 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9619 1.3417 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9599 -1.0492 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9307 -0.1589 -3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 -1.6781 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -2.2856 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 -0.5876 -3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 -0.7062 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -3.1631 -4.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 -3.5529 -6.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 -2.4346 -5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 -0.9880 -4.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 -0.6977 -7.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -2.0743 -7.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 0.4255 -6.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 -0.9508 -6.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -0.5724 -8.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 0.8671 -8.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3127 1.2518 -8.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 0.5287 -7.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6334 2.0706 -7.5522 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 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 26 37 1 0 37 38 1 0 38 39 2 0 38 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 2 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 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M END