HMDB0283564 RDKit 3D PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 133132 0 0 0 0 0 0 0 0999 V2000 -3.5182 -9.0408 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -7.8206 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9335 -7.0318 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9145 -5.7764 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 -4.9825 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -3.8287 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -2.6176 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 -2.0646 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 -2.7503 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 -2.6643 -2.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5777 -1.8274 -2.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7575 -2.5628 -3.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9436 -2.5128 -2.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2666 -1.6321 -1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2194 -0.6443 -2.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9811 0.6364 -2.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7704 1.2822 -1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0014 2.4325 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4556 3.6147 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6802 3.7528 -2.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 3.9862 -2.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3141 3.9168 -3.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 4.0535 -4.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 3.6637 -2.9262 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 3.4633 -3.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 3.1858 -2.8783 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2755 2.3352 -3.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.2171 -4.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 0.1702 -4.9809 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0352 -0.3099 -6.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 0.9744 -5.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -1.1804 -4.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7827 -2.1283 -4.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9317 -3.2913 -3.5740 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4628 -2.7855 -2.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -4.2968 -4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 -4.8263 -5.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -4.7024 -3.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1829 2.3284 -1.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 2.6965 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 3.8173 -0.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 2.0278 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 2.4525 1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 2.0658 2.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 2.5804 1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 1.8167 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 0.3796 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -0.5327 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3789 -0.3185 1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.9621 1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 1.0847 1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7137 2.4656 1.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6715 3.1652 0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9679 3.1959 2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 2.5991 4.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 2.1652 4.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.2085 4.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 0.8038 4.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.4238 5.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 1.3684 6.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 0.9283 7.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -9.3558 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 -8.7866 -0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -9.8737 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -8.3252 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 -7.3689 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8941 -7.5659 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8197 -5.3203 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -5.6375 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1469 -4.8389 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 -4.0564 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 -1.8551 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9276 -1.1663 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -1.4240 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -3.3808 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -3.2546 -3.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 -1.1372 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1979 -1.1779 -3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -3.2319 -4.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7646 -3.1118 -3.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8352 -2.2797 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4365 -1.2068 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1631 -1.0257 -2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7501 1.2831 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2685 0.4940 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9962 1.4978 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5754 2.3069 0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6102 4.4455 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0061 4.7777 -2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8602 3.0485 -3.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 4.9520 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0032 3.1336 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 2.7424 -4.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 4.4378 -4.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 4.0499 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 2.9125 -4.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 2.0245 -3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 0.7698 -4.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 -1.7071 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 -2.5363 -5.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -3.7209 -3.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -1.9994 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5818 -3.5631 -1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 -4.2999 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 2.1583 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 0.9101 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3798 1.9385 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 3.5631 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 0.9482 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 2.3863 3.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 3.6631 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 2.3534 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.0568 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 0.1847 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -1.6440 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0461 -1.1909 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 1.8648 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 0.1851 1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7989 2.3774 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8242 3.0163 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5423 4.1967 3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 3.5192 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 2.5288 4.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 1.7359 5.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 2.9377 5.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5911 2.4772 3.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 0.0750 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 -0.6559 5.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 1.2360 5.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 2.4111 6.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 1.0534 8.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 -0.1107 7.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 1.6096 8.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 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 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 1 35102 1 0 35103 1 0 38104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 49116 1 0 50117 1 0 51118 1 0 52119 1 0 53120 1 0 54121 1 0 54122 1 0 55123 1 0 56124 1 0 57125 1 0 57126 1 0 58127 1 0 59128 1 0 60129 1 0 60130 1 0 61131 1 0 61132 1 0 61133 1 0 M END