HMDB0113691 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 132131 0 0 0 0 0 0 0 0999 V2000 0.3923 -1.1252 6.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -2.5914 7.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 -2.9972 7.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -3.9618 6.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -4.7896 5.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 -4.5962 4.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -4.0913 3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -3.6648 3.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 -2.2473 2.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -1.8528 2.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -2.6218 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 -2.4404 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -3.2804 -1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -4.6443 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -5.1038 -1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1632 -5.2596 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 -4.9272 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 -4.0502 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -2.8465 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 -1.8806 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 -1.4160 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 -0.3610 2.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -0.2846 3.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 0.5796 1.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 1.5233 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 2.5855 2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 2.2062 2.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2324 1.5471 3.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 1.2354 2.8667 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0877 1.3117 1.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 2.4374 3.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -0.2844 3.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 -0.1471 4.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8309 -1.5091 4.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 -1.3376 5.7449 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 -2.6473 6.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 3.3114 1.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 4.6247 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5753 5.2261 2.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 5.4224 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 4.6529 -1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3975 5.4981 -2.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 5.8152 -2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 5.4513 -3.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 4.6940 -4.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 3.3798 -4.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 3.0723 -5.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4989 3.8653 -6.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 3.4386 -7.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 2.4170 -8.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 1.2603 -7.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 1.0900 -8.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 1.0931 -8.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 1.2758 -7.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.5531 -5.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 0.7541 -4.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -0.5143 -4.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 -1.6454 -4.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -1.0399 5.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.5272 7.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 -0.7822 6.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7337 -2.6155 8.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 -3.2133 6.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 -2.4756 7.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6848 -4.1808 6.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -5.9005 5.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 -4.6855 5.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 -4.8871 4.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -3.9803 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 -4.3495 2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 -3.7735 4.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 -1.4966 3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -0.7413 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 -3.7403 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -2.4078 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 -1.4212 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7762 -2.9934 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 -5.3082 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -4.7595 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -5.3543 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -5.6495 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 -4.3682 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -5.8295 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -4.6723 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -2.4708 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 -0.9478 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.3477 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -2.3025 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5313 -1.0687 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 1.0290 3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 2.0236 2.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1731 3.3697 3.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 1.6141 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 3.1348 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 2.3972 4.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1388 0.5179 5.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 0.2957 3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.1389 3.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -2.0355 5.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7672 -0.9178 5.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 -3.3952 5.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6369 -3.0093 6.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 -2.5712 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 6.2607 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 5.8943 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 3.6797 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 4.4024 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 5.1721 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 6.4961 -2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 6.4056 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 5.7265 -2.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 4.4546 -4.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 5.3410 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 2.6512 -3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4819 2.0491 -5.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6595 3.9988 -6.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 4.9349 -6.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9329 4.1817 -8.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0305 2.3486 -9.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 1.2880 -6.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 0.3052 -7.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2948 0.9186 -9.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 0.9198 -9.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 0.4041 -7.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 2.1231 -7.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 2.4924 -5.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1727 1.0789 -3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -0.4631 -3.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 -0.8517 -5.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -1.6573 -3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 -1.4816 -4.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 -2.6046 -4.6926 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 2 0 44 45 1 0 45 46 1 0 46 47 2 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 2 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 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 58132 1 0 M END