HMDB0114504 RDKit 3D PE-NMe2(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 6.0207 2.2127 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 2.7495 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7336 1.9247 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 2.3270 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 2.1736 2.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 2.5648 3.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 3.5260 4.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 4.3248 2.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 5.7520 3.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 6.7301 3.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 6.6158 3.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 7.4112 1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 6.9230 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 5.5374 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 4.9138 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 4.5200 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1832 4.6101 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9564 3.3683 -1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 2.3817 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 1.7269 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 0.9890 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 0.2399 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2675 -0.1069 0.6485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 -0.1371 -1.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 -0.8816 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 -1.0821 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 -1.9479 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 -1.4340 1.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 -2.3553 2.7504 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7681 -3.8032 2.2796 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -1.8638 3.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 -2.3283 4.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -1.2840 4.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 -1.2336 6.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 -1.0847 6.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2555 -2.2355 5.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 -0.7981 7.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 -1.7198 -1.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -1.0518 -2.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7109 0.1550 -2.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -1.5316 -4.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -0.6005 -5.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -0.3881 -5.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 0.0879 -4.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 0.2504 -5.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -0.4689 -4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -1.5459 -3.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -2.7985 -4.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -3.5142 -4.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -3.1646 -3.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 -4.1823 -1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -4.7983 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7061 -4.5795 -2.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 -5.8963 -2.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 -6.5162 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4538 -5.7146 -4.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6229 -6.4958 -5.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 2.5072 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.6580 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 1.1121 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 3.7945 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 2.6106 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 0.8432 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8329 1.9922 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 3.4191 2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 1.7128 3.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 1.0516 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 2.5929 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.9984 4.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 3.7821 4.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 4.2528 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 4.1061 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 5.9106 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 7.7313 3.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 5.6205 3.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 7.1648 3.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 8.4876 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 7.6290 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 4.9367 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8952 5.4846 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 4.7892 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 4.0582 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 5.1691 -2.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 5.2891 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 2.9268 -2.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0051 3.7119 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7934 2.8726 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8426 1.5670 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 0.8904 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 2.3865 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 0.3099 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 1.6886 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -1.8439 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -0.2742 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -0.0855 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -2.0419 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 -2.9652 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -0.8895 2.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -0.3541 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 -1.4388 5.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -2.1506 6.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -0.3359 6.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -2.2669 4.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -3.1396 5.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -2.1934 5.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -0.2390 7.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7097 -0.2254 7.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.7852 7.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -1.7505 -4.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 -2.5096 -4.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 0.3706 -5.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 -1.0488 -6.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -1.3490 -6.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.3262 -6.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 -0.3377 -3.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 1.1830 -4.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 1.0272 -6.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -0.2914 -5.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 -1.6681 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -1.2023 -3.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -3.1213 -5.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -4.4652 -4.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3199 -2.9685 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -2.2022 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 -4.4499 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -5.5565 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 -4.2954 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8694 -3.8597 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3359 -5.6857 -3.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4106 -6.6173 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0175 -7.5177 -3.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -6.7806 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 -4.7072 -4.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -5.6046 -5.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9359 -7.1397 -5.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2801 -7.0845 -6.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -5.7740 -6.6017 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 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 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 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M END