HMDB0113151 RDKit 3D PE-NMe(18:1(9Z)/20:3(8Z,11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 5.1085 4.7960 -6.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 3.9272 -6.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 4.7043 -5.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 5.4390 -4.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 6.2482 -3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 5.4111 -3.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 5.3360 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 6.0455 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 6.9067 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5112 6.8007 1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 5.7760 2.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 4.8976 2.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 3.6024 2.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 2.8817 1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1602 2.2167 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.1722 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 0.5822 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 0.0049 -1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 -0.6481 -2.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 -1.7927 -1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -2.9573 -1.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 -1.6698 -1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 -2.7977 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -2.6749 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0529 -2.4046 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4454 -2.3825 2.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6259 -2.6126 2.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -2.0824 3.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 -2.5063 4.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 -2.2268 6.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -2.6451 6.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -1.9421 5.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -2.4362 5.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -1.5217 4.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -1.8582 4.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 -2.2268 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -2.3486 2.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -1.3899 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0318 -1.6310 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 -0.6341 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -0.8256 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8826 -0.6796 1.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7449 0.6551 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5944 0.6132 3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -3.0952 -2.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -4.2089 -2.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1905 -4.5468 -3.2247 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.5819 -4.4243 -2.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -6.0789 -3.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0986 -3.3709 -4.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4723 -4.0072 -5.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4282 -3.0640 -6.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3067 -1.9245 -6.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8888 -1.0175 -5.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6913 4.1845 -7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 5.6908 -7.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8359 5.0728 -5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6157 3.2830 -6.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 3.2453 -5.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 5.3709 -6.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 3.9421 -5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 6.1568 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 4.7311 -3.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 6.8699 -4.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 6.9775 -2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 4.8164 -3.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 4.6966 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 6.7156 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 5.2810 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 7.6841 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 7.4998 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 6.3712 3.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 5.3073 1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 5.3531 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 3.0421 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 3.3944 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 2.0088 2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 2.9605 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 1.6951 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.3502 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 1.6871 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 1.3337 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -0.1649 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.8608 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.6927 -0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 -0.8982 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 0.1241 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 -3.7065 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5234 -3.6102 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7664 -1.8761 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -1.0971 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -2.8274 3.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3332 -3.5972 4.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0504 -1.9942 4.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 -2.6325 6.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.1036 6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -3.7703 6.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -2.4080 7.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -0.8712 5.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -1.9581 4.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 -3.4882 5.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -2.2315 6.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -1.4504 3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -0.4787 5.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -1.7959 5.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 -2.4575 3.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1783 -3.3777 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -2.2967 2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 -1.5681 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -0.3280 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -1.5678 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -2.6595 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -0.7360 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4403 0.3946 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 -1.8168 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4962 -0.0553 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -1.4881 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 -0.8311 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 1.4627 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6742 0.8361 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -0.2028 4.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 1.5884 4.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6296 0.4478 3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0075 -2.2314 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8168 -3.1407 -3.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5991 -6.1780 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7061 -4.7907 -5.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4749 -4.4588 -5.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8353 -3.6507 -7.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 -2.7682 -7.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2890 -2.2149 -6.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -1.2364 -5.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9379 0.0164 -6.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5965 -1.1049 -4.8074 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 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 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 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 24 89 1 0 24 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 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END