HMDB0114652 RDKit 3D PE-NMe2(24:1(15Z)/22:1(13Z)) 165164 0 0 0 0 0 0 0 0999 V2000 8.2507 -2.1661 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6007 -2.1470 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 -2.9773 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7139 -2.4454 1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8161 -3.2421 2.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0723 -2.8697 3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -2.7627 3.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9971 -1.6653 2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 -1.6780 3.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 -1.8138 2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 -1.9626 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -3.2774 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 -3.3977 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -4.7240 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -4.8004 -1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -3.7932 -2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -4.1071 -2.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -3.1932 -3.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -3.7306 -3.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -3.0972 -3.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 -1.6438 -3.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2415 -1.3260 -4.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8766 -0.0230 -4.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 1.1858 -4.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8766 1.2092 -4.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 2.3328 -5.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 3.5334 -5.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5525 4.2505 -4.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6635 4.5955 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2052 5.3951 -2.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5348 5.6615 -1.1153 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.7317 5.9421 -2.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 6.9697 -0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 4.2581 -0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0065 4.3532 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2626 3.0940 1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1988 2.8524 2.2405 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1287 3.8191 3.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3112 1.5335 2.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 3.5842 -3.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 4.0297 -3.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 5.1042 -3.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 3.1830 -2.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 2.1841 -3.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 2.6039 -4.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 3.3425 -3.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 2.7730 -3.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 2.7603 -1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 1.9712 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 2.0758 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 3.4446 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 3.5626 2.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 3.5124 2.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 3.5983 4.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 2.7253 5.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 1.5363 4.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 0.2451 5.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 -0.9389 4.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -1.0822 3.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -2.2348 2.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 -3.5791 2.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0311 -4.6605 2.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 -6.0266 2.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7353 -1.1696 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2758 -2.4451 -2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5733 -2.8883 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 -1.0752 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4176 -2.4605 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7311 -2.9374 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3883 -4.0021 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6882 -2.5363 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9357 -1.4028 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 -4.3557 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9209 -3.2575 2.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4523 -3.5830 4.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5602 -1.8821 4.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 -2.5545 4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -3.7538 3.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 -0.7042 3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2481 -1.4804 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.5756 4.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -1.8150 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 -1.7172 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4377 -1.1799 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -3.3937 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -4.0931 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 -2.5801 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 -3.3582 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 -5.5086 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 -4.9180 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 -5.8273 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 -4.6435 -2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -2.7850 -2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 -3.9408 -3.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -4.0791 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -5.1452 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -3.2207 -4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 -2.1716 -2.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 -4.8257 -3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8285 -3.7697 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -3.2547 -4.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7028 -3.7299 -3.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 -1.5265 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 -1.0570 -3.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9194 -1.6501 -5.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0461 -2.0893 -4.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4727 0.1093 -3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7401 -0.0733 -5.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9399 4.2435 -5.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3846 3.4956 -6.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 5.2127 -4.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4695 5.1346 -3.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 3.6744 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 6.8867 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 4.5427 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9185 5.2033 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4799 2.2156 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1943 3.2906 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0922 3.8730 3.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8145 4.8244 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3311 3.4920 4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1915 1.4131 3.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3072 0.7372 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4094 1.3428 3.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 2.5990 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 3.8025 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 1.6505 -3.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3156 1.3383 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 1.7138 -4.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 3.2406 -5.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.3706 -3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 3.6008 -4.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 1.8065 -3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 3.4718 -3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 3.8205 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 2.4409 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 0.9068 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 2.3625 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 1.6966 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 1.3780 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 3.6431 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 4.2501 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 2.7116 3.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 4.5340 3.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 2.6099 2.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 4.4239 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 4.4415 4.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 2.8987 6.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 1.4527 3.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 1.6849 4.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 0.1064 4.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 0.2734 6.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -0.8559 4.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 -1.8350 4.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -0.1625 2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -1.1615 2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 -2.2558 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -1.9964 2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -3.8535 2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -3.6892 4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -4.5042 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -4.6513 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9744 -6.1773 3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -6.7761 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -6.1068 2.8235 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 1 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 28 40 1 0 40 41 1 0 41 42 2 0 41 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 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 23107 1 0 23108 1 0 27109 1 0 27110 1 0 28111 1 0 29112 1 0 29113 1 0 33114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 38119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 39124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END