HMDB0267517 RDKit 3D PA(i-14:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 112112 0 0 0 0 0 0 0 0999 V2000 -15.6167 3.5157 1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5360 2.7139 2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8062 1.2413 2.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7722 0.3931 2.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4340 0.6449 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3257 -0.1258 2.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6525 -1.0003 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9172 -1.3028 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7607 -1.0142 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1961 -1.4053 -1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9391 -0.0059 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8177 0.5461 -2.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1761 -0.5005 -2.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9026 -0.8089 -2.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -0.1010 -1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9335 0.4962 -2.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.2432 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -0.6818 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 -1.8441 -2.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 -1.4365 -3.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 -0.7048 -2.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 0.4553 -2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 -1.2968 -2.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -0.5893 -1.9957 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1667 -0.3397 -3.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2732 0.3555 -2.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 1.6066 -2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 2.1973 -1.8989 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5403 2.1956 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8145 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1059 2.3879 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 1.9101 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 0.4179 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7351 -0.0707 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9773 0.5781 1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1948 0.2686 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4615 0.8509 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0636 0.4943 2.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5550 -0.8962 2.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1507 -0.9424 4.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4898 -1.9299 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -1.3676 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1846 -2.5917 -1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -3.4399 0.0403 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5799 -4.1957 0.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 -2.3220 1.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9854 -4.5292 -0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6043 3.3397 0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6064 3.2273 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4975 4.5967 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5656 3.0192 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5613 3.0299 3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7118 0.9757 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8477 0.9851 2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0751 -0.6724 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7347 0.6171 3.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1956 1.7321 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5005 0.6801 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0811 0.0625 3.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8275 -1.5451 2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0253 -2.4421 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8771 -0.9508 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7897 -1.5079 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8976 0.5573 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1905 1.2531 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3636 1.1967 -2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8051 -1.0561 -3.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4462 -1.5980 -3.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5448 -0.8311 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3794 0.7050 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3307 1.1843 -3.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 0.7750 -3.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -0.9848 -0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -0.0765 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 -2.4481 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -2.5677 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 -2.3920 -3.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -0.7737 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7388 0.3863 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 0.2640 -3.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -1.3255 -3.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4916 3.3190 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 1.8254 -2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 0.7174 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 2.2400 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 2.1281 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 3.4965 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 2.4680 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1433 2.2486 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 0.0471 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -0.0466 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8996 0.0905 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 -1.1596 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1134 0.2209 2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 1.6768 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0038 0.7249 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2451 -0.8107 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2324 0.6069 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 1.9838 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3843 0.6955 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9287 1.2320 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 -1.0540 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8852 -0.1073 4.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3959 -0.7609 4.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6063 -1.9348 4.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6690 -2.7283 3.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5005 -2.4499 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4692 -1.5962 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -0.7776 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8855 -1.4883 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 -2.6774 2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 -5.4289 -0.0788 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 1 0 38 39 1 0 39 40 1 0 39 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 11 9 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 1 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 46111 1 0 47112 1 0 M END