HMDB0009616 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) 129128 0 0 0 0 0 0 0 0999 V2000 6.4741 -0.5811 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 -1.8054 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3112 -2.6847 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -1.8049 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -2.5402 -2.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -1.6231 -3.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9173 -1.7149 -3.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -2.8237 -3.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 -4.0443 -3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 -4.5269 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -3.8107 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 -4.6842 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -5.1766 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 -4.9825 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 -4.4109 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8963 -3.3254 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8046 -2.4366 2.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 -2.3445 3.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 -1.2512 4.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 0.1187 3.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 0.9565 4.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 2.3506 3.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 3.1938 4.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 2.8706 2.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 4.2552 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 4.6444 1.6703 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5625 4.7758 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 5.3491 0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 5.6603 -1.5544 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9126 6.4109 -2.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4505 6.7130 -1.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 4.3045 -2.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 4.5906 -3.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 3.3709 -4.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 3.6934 -6.0663 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 4.0987 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 4.7728 2.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 6.0153 2.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 4.1288 2.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 3.3975 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 2.1473 3.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 0.9860 3.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7233 -0.3149 3.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -0.7758 2.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 -0.9965 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.0503 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 1.0878 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 0.3632 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 1.3038 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 0.6358 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -0.2789 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0304 0.3888 -3.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -0.6414 -4.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8069 0.2918 -0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2096 -0.3024 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0293 -0.8187 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 -1.3982 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -2.3270 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -3.5767 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 -2.9844 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -1.4760 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 -0.9398 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 -3.5273 -2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 -2.6625 -3.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -0.6456 -3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -0.7922 -4.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -2.3655 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 -3.1333 -4.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -4.7049 -3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -5.4669 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6402 -2.7840 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -3.8000 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -4.9211 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -5.8337 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 -4.3573 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 -6.0189 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6306 -5.0349 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9183 -2.9662 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 -2.7999 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 -1.4419 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -3.2994 4.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 -1.3154 5.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1012 0.1466 2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 0.5571 3.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 0.8640 5.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 0.3714 4.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 4.8440 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 4.5238 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 5.7847 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 5.4388 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 3.8226 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 7.5786 -2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 5.4502 -4.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 4.8906 -3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 2.5213 -4.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 3.0678 -4.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 3.2490 -6.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 4.7129 -6.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6572 3.4942 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 4.9329 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1702 4.1074 4.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 3.1941 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 1.8934 4.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 2.3090 3.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 0.8984 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 1.2859 2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.0959 2.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -0.5684 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -0.1162 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -1.7365 3.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -1.6006 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 -1.7975 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 0.5460 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 -0.4601 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 1.7417 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2811 1.6897 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -0.3171 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 -0.2274 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 1.9133 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 2.0288 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 0.1846 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 1.4873 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 -0.6788 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 -1.1593 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 0.7177 -2.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6915 1.2264 -3.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -0.4989 -4.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -1.6755 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -0.6152 -4.6846 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 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 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 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END