HMDB0289193 RDKit 3D PC(DiMe(13,5)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 156156 0 0 0 0 0 0 0 0999 V2000 3.7605 -7.2856 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 -6.6115 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 -5.6229 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -4.3446 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 -3.6533 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 -3.0238 -2.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -3.3341 -3.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -4.2794 -4.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 -3.7489 -5.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 -3.2174 -6.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 -2.9016 -6.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.9732 -5.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -1.2192 -5.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 -0.2994 -4.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 0.0950 -3.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 1.5407 -3.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 2.4457 -2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 2.1252 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 2.5299 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 3.3820 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 4.0087 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 5.5326 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 6.0923 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 7.3322 1.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 5.3685 2.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 5.8798 3.3715 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1175 5.2124 4.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 5.0662 4.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 4.4186 5.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 4.0414 6.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 4.1549 6.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 3.3404 7.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 1.9781 7.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 1.1317 6.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 -0.2017 6.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 -1.1318 5.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 -0.7446 3.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -0.3377 2.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 -1.3168 2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.5790 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 -1.3334 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -1.7793 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -2.4589 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -3.6773 0.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -3.8201 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 -5.1526 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -5.7226 -2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1469 -5.0709 -3.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 -5.0041 -4.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5982 -4.2963 -5.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -2.5722 -1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2789 -2.1358 -1.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4575 -1.6755 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -0.1889 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0174 5.8130 3.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 4.4843 3.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 4.0879 3.6479 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0527 3.0954 4.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 5.4155 4.0153 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.5269 3.2518 2.2957 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7282 3.8130 1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 2.9911 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 3.4307 0.1048 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.7793 4.7718 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2821 3.3881 -1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4764 2.4934 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 -6.6140 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1515 -8.2109 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 -7.4971 -1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -6.1730 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -7.4098 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.9553 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 -3.7322 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -4.3225 -2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3925 -2.8110 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7681 -2.2983 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5368 -2.8003 -4.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 -4.9408 -4.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8551 -5.0268 -4.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -4.7034 -6.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 -3.5262 -6.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -3.0078 -7.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5717 -1.8154 -4.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 -1.4141 -6.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 0.2399 -5.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.2543 -2.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -0.4237 -3.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 1.8938 -4.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 3.5129 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6445 2.4524 -2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 0.9796 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 2.0760 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 3.6328 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 3.7061 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 3.7513 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 5.7736 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 5.9085 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 6.9837 3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 4.2294 4.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 5.8387 5.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8063 5.1347 6.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9392 3.7408 5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 3.2446 7.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 3.8948 8.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.9341 7.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 1.4598 8.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 1.7393 5.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 1.0463 6.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9427 -0.0320 5.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -0.6772 7.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 -1.4821 5.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1647 -2.0966 5.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -0.0234 4.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -1.6738 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 0.6291 3.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9209 -0.0690 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 -2.1916 1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -1.5457 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -0.1707 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 0.3317 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 -2.2481 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.7291 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -0.9455 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.5137 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -5.8845 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 -5.0678 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -6.7709 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8005 -5.9569 -2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 -4.0846 -3.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 -5.7311 -4.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -6.0468 -4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1795 -4.4083 -3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -4.3655 -5.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 -4.7725 -6.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -3.2394 -5.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 -2.3158 -3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -1.0373 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 -2.6750 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 0.1337 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 0.1565 -1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 0.2938 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 6.4232 2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 6.1452 4.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4947 3.6967 2.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 4.8541 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 3.0957 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2497 1.9318 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9788 5.4440 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9166 4.8597 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7075 5.0316 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 4.0818 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2838 3.6702 -1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0324 2.3390 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4129 3.1126 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2844 2.0381 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5777 1.7252 -0.3399 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 1 0 9 11 1 0 11 12 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 40 41 1 0 41 42 1 0 42 43 1 0 43 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 45 51 2 0 51 52 1 0 51 53 1 0 53 54 1 0 26 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 63 66 1 0 53 43 2 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 6 27 99 1 0 27100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 50135 1 0 52136 1 0 52137 1 0 52138 1 0 54139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 61144 1 0 61145 1 0 62146 1 0 62147 1 0 64148 1 0 64149 1 0 64150 1 0 65151 1 0 65152 1 0 65153 1 0 66154 1 0 66155 1 0 66156 1 0 M CHG 2 59 -1 63 1 M END