HMDB0261094 RDKit 3D PE(18:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) 132131 0 0 0 0 0 0 0 0999 V2000 16.3147 -1.5092 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9365 -0.1111 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4986 0.0457 -2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5372 -0.3880 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0896 -0.2287 -1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7480 1.1899 -1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3462 1.4576 -2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 1.0499 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5724 1.7612 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 1.5248 1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 0.2025 1.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -0.9133 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5591 -0.5875 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5146 -0.2659 1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -1.3635 2.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -2.6064 2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2034 -2.4861 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -1.7007 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -1.5319 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -1.0622 0.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -0.2951 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 0.3029 -0.9972 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0391 1.2444 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 1.9378 0.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 2.9239 1.7511 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3169 3.8746 1.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 3.8649 2.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 1.9858 3.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 1.9026 4.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 1.0409 5.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 1.5844 5.8605 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 -0.7206 -0.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -0.9099 -1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -0.1059 -2.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -1.9601 -1.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -2.0658 -2.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8613 -0.9752 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 0.3390 -3.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 1.4272 -2.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3011 1.4689 -1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 2.3787 -1.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6604 1.9878 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0698 0.6064 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0336 0.1817 -1.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2501 -0.1576 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8022 -0.1544 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2174 -1.5446 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4108 -1.8974 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5154 -0.8577 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5941 -1.1398 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6890 -0.2114 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5877 0.1655 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1145 0.9804 1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1654 0.5607 2.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0111 -1.7580 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4426 -1.5426 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0047 -2.2793 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6161 0.1992 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1506 0.5567 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3648 -0.4881 -2.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3452 1.1299 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6799 -1.4321 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6725 0.2477 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9258 -0.8603 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4673 -0.6642 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3879 1.4745 -2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0949 1.8746 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0562 0.9277 -2.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2195 2.5488 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 1.4389 -1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2248 -0.0248 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6613 1.7086 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 2.8760 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 2.0508 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0319 2.1919 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 0.2497 2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4633 -0.1410 2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 -1.4375 0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6312 -1.7226 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 -1.4853 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 0.2681 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 0.5548 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 0.2016 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -0.9208 3.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 -1.5664 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -3.1895 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -3.2999 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -2.1542 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 -3.5323 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 -0.9231 -1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 0.5654 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 0.8805 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 1.9217 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 0.6744 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 3.3660 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 1.4746 3.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 2.8949 4.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 0.9826 5.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 0.0173 4.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 0.9230 6.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 2.5608 6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -1.8645 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -2.9775 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3995 -3.0609 -2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 -2.2506 -3.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5463 -1.3675 -4.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 -1.0465 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 0.4862 -4.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 2.4106 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4346 0.4847 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 1.9837 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 3.4301 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4831 2.7371 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2437 -0.1377 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 0.5412 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 0.1415 -3.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9759 -0.4768 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6494 0.5870 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1351 0.1560 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4404 -2.3047 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7104 -2.9511 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9311 -1.2054 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1932 0.1375 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9582 -2.2036 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1678 -1.3384 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3051 -0.5411 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2230 0.7478 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4975 0.6766 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1358 -0.7744 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8044 2.0262 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0400 1.2645 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5339 1.2676 2.6042 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 M END