HMDB0009075 RDKit 3D PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -18.0898 -0.8041 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2233 0.5424 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4108 1.6024 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9625 1.4731 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1375 1.3667 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3142 0.2711 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4140 -0.6331 -1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0936 -0.7759 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5356 0.0964 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4846 0.8490 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6537 0.9461 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5478 2.3372 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4286 2.9796 -1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1269 2.5549 -1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 1.2892 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 0.3872 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 0.6275 -2.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 0.6191 -2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2789 -0.7232 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 -0.7905 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 0.1969 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0326 0.1507 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 0.5340 1.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.2767 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 -0.2661 0.0184 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2530 0.6445 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 0.6834 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 1.1376 1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 1.5515 1.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 1.1927 1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 0.7488 0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0948 -0.6530 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 -1.1091 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 -1.1018 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7217 -1.5298 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -0.6230 -1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 0.7487 -1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2936 1.3953 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 0.8180 -2.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6510 0.8126 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3820 0.0157 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3457 -0.1786 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8203 0.9294 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5601 2.0743 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8859 1.9295 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9357 1.1740 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -1.7013 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 -2.4536 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -4.0848 0.8696 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5828 -4.8587 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -4.3205 0.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 -4.7002 2.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 -3.6893 3.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -4.0989 4.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 -2.9323 5.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1615 -1.3319 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9363 -1.4306 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1406 -0.6397 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2623 0.4370 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3203 0.8332 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6152 2.5763 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8213 1.7439 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6470 0.7203 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6069 2.4461 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1181 1.7911 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5863 2.2842 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2741 0.1617 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7168 -1.4291 -2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3360 -0.9678 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0424 -1.8623 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0381 0.1471 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1847 1.4678 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3266 0.4859 -2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7962 0.2989 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4681 2.8542 -2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5120 4.0371 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3862 2.8197 -2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7886 3.3979 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3103 1.0083 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8511 -0.5691 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5547 1.4026 -3.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3579 -0.3353 -2.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 0.7725 -3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 1.3814 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 -1.0350 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 -1.4711 -2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -0.4701 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -1.8115 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 1.2455 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0568 -0.0864 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 0.0620 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 1.6517 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 0.2590 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 2.2015 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 0.4932 2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2317 1.4304 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2294 0.8798 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 -0.8836 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1197 -1.3622 1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9815 -2.1581 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 -0.5229 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7189 -0.1088 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.8140 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 -2.5368 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6399 -1.5054 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9988 -0.6401 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 -1.1303 -2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3650 1.2408 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3628 2.4311 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2969 -0.1014 -2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7259 1.5827 -3.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9536 1.8449 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4845 0.2950 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9381 -0.9827 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4320 0.4837 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7353 -0.8490 1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -0.8968 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9045 1.3898 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 0.4985 2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8685 2.7177 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6956 2.7957 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 1.5352 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2792 2.9979 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6797 0.1329 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3479 1.6934 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0006 1.2701 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 -2.1351 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -1.7196 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 -3.5570 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 -2.8809 3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 -3.2605 2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -4.3018 5.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 -4.9632 4.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -2.1328 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -2.6914 4.9000 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 51129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 M END