HMDB0113077 RDKit 3D PE-NMe(16:1(9Z)/22:2(13Z,16Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -1.4067 -1.1997 -3.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 -1.0836 -3.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 0.2175 -2.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8209 0.3583 -2.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 1.6455 -2.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9575 1.7639 -0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2427 2.7493 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 3.8840 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 4.0908 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 5.2107 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 6.2936 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3485 6.7422 1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 5.8336 2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 4.9711 2.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 4.1092 3.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 3.4114 3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 2.6058 5.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 2.0050 5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 1.0288 4.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 0.5805 5.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -0.3966 4.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.6893 4.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -2.6407 4.8489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -1.9038 3.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 -3.0660 2.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.8912 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -3.9268 2.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -3.9148 3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -3.0367 4.0668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -4.9502 2.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 -4.6234 1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 -3.5238 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -2.1481 1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -1.4012 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -0.0069 1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 0.8757 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.4861 1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 0.2994 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 0.4310 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 1.4999 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 1.2554 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 -0.0435 -2.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 -0.1608 -1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 -0.1680 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -3.6116 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -3.9359 1.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -4.6378 -0.4470 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3916 -5.7542 -0.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 -5.4214 -0.5987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 -3.5631 -1.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 -4.1851 -2.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -3.2387 -3.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -2.5599 -4.3682 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -1.6767 -5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -1.7979 -2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.2055 -3.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 -1.7386 -4.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 -1.9085 -2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -1.0053 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 1.0262 -3.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 0.2827 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3397 -0.5012 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 0.4227 -3.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9086 2.4529 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4516 1.6614 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3313 0.9559 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 2.6918 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3269 4.7482 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 3.6552 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 3.3214 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 5.2942 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 6.1486 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 7.2071 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 7.3335 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 7.6089 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 5.1867 2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 6.3940 3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 4.2459 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 5.5705 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1162 4.7935 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 3.4174 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 2.8024 3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 4.1941 4.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 3.2982 6.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 1.7999 5.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 2.8397 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 1.5346 6.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 1.5240 3.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 0.1317 4.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 0.1404 6.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 1.4568 5.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3136 -0.6413 4.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 0.0253 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 -3.8643 3.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -2.9000 4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -1.9577 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 -5.1301 3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -5.9111 2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 -5.5662 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -4.5462 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5972 -3.5789 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0108 -3.8440 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 -1.9413 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -1.5477 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -1.8709 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -1.3039 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.1451 2.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 0.4459 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 1.8694 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 1.1463 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 0.3585 2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 0.0017 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.5263 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 0.7314 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 1.4573 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 2.5063 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 2.0750 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 1.1632 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 -0.8936 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 -0.0461 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 -1.0722 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1235 0.7157 -2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0221 -0.5010 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.8526 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9173 0.8825 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 -2.9048 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -4.5653 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 -5.9872 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -4.8589 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -4.8475 -3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -3.8678 -4.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -2.5076 -3.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 -3.2035 -4.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -0.6965 -5.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -1.4477 -5.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 -2.1118 -6.4372 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 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 2 0 28 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 1 0 36 37 1 0 37 38 2 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 25 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 49128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END