HMDB0288646 RDKit 3D PC(24:0/18:2(9Z,11E)+=O(13)) 155154 0 0 0 0 0 0 0 0999 V2000 3.1825 1.7966 -8.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 1.7227 -7.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 0.4945 -6.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 0.5188 -5.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 -0.6908 -5.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 -0.8324 -4.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 0.3113 -3.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 -0.0904 -3.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7652 0.9182 -2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2006 0.3938 -2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2595 -0.8984 -1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 -0.8433 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8473 -2.2458 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -2.4981 2.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7411 -1.9614 2.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7799 -0.5002 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -0.1918 4.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9251 1.2323 4.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0733 1.4767 6.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 1.6340 6.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 2.9596 5.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 3.1558 5.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 2.2858 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 2.5801 3.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 3.3883 3.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 2.1385 2.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 2.5768 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 2.1425 0.5447 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8714 2.7721 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 2.7337 -1.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 3.3090 -3.0320 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2469 2.1921 -3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 4.5885 -2.9494 O 0 0 0 0 0 1 0 0 0 0 0 0 0.3180 3.9052 -3.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 5.0495 -4.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 5.7100 -4.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 6.1564 -3.8906 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.2679 7.4243 -3.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 5.1604 -2.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 6.3762 -4.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 0.7134 0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 -0.0509 0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 0.6139 1.6307 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 -1.4928 0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -2.3084 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 -1.9384 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -2.8047 4.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -4.2361 4.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 -5.2167 5.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -5.4791 4.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 -4.2470 4.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -3.7952 3.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 -4.4622 2.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -3.9905 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 -4.7176 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -5.8026 -0.1521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9827 -4.1380 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -4.7878 -2.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 -5.1770 -3.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 -6.1905 -2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -7.5405 -2.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 0.7920 -7.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 2.1363 -9.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 2.4960 -7.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.7405 -8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 2.6224 -6.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 0.3196 -5.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6494 -0.3863 -7.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 1.4402 -5.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 0.4951 -6.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -1.5845 -5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8603 -0.5733 -4.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 -1.7372 -3.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 -1.0264 -5.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 1.2705 -4.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 0.3827 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 -0.1879 -4.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -1.0905 -2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2797 0.9905 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 1.9197 -2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7092 1.1566 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7613 0.4232 -3.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 -1.2066 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -1.7506 -1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -0.2920 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 -0.3132 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 -2.8236 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7672 -2.7562 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6636 -3.6622 2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8028 -2.3932 2.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7334 -2.5883 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 -2.1899 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7699 -0.2628 3.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 0.1497 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -0.8961 5.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7622 -0.3421 4.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 1.4257 5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 1.9209 4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5668 2.3704 6.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 0.6302 6.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 0.7822 5.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 1.6310 7.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 3.0193 4.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 3.7578 6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 3.1159 6.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 4.2567 5.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 1.2013 5.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 2.5242 5.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 3.7095 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 2.3689 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6842 2.4043 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 2.1362 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2889 3.7841 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 4.7384 -5.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 5.7617 -3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2197 5.0445 -5.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 6.6160 -5.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 7.3350 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0304 8.2074 -3.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 7.6920 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 5.1645 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 4.1387 -3.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 5.3745 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 5.4684 -4.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7976 6.7724 -5.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 7.1167 -3.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -1.7531 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7236 -1.8715 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 -3.3923 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -2.0960 1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 -2.1396 3.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4864 -0.8811 3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 -2.4444 5.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 -2.4697 4.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 -4.6050 3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -4.3747 4.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -6.1645 5.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -4.8749 6.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -6.1806 5.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -6.0671 3.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1976 -3.6627 5.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 -2.8471 3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 -5.4133 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 -3.0552 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -3.0698 -1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -3.8187 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 -4.1304 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -5.7277 -2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -4.3096 -3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.5895 -4.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 -6.3252 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -5.7866 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -8.0961 -3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 -7.3630 -2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1701 -8.0568 -1.9688 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 1 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 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 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 2 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 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 1 29112 1 0 29113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 38118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 40126 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 52142 1 0 53143 1 0 54144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M CHG 2 33 -1 37 1 M END