HMDB0008733 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -2.0991 1.4139 4.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 1.2052 3.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 0.1986 2.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 0.4346 1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.6836 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 2.1922 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4529 2.3171 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 1.9753 -1.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 0.9879 -2.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 1.2315 -3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 2.4506 -4.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 2.5961 -5.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 1.7493 -6.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 0.2925 -6.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 -0.2985 -7.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -1.0832 -8.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.5539 -7.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3213 -1.2975 -6.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -2.2662 -5.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -3.6586 -5.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2971 -4.3722 -4.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -4.6870 -3.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -5.8541 -3.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -4.0444 -2.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 -4.7332 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 -4.0487 0.2149 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9712 -4.0341 0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -3.1086 0.3901 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 -3.3228 1.2611 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9637 -4.6423 0.8259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 -3.4985 2.9009 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4104 -2.0722 1.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6719 -1.4986 2.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6704 -0.4029 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9966 0.2461 3.5293 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.5388 1.5878 3.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0843 -0.4909 4.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 0.3395 4.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.8511 0.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 -2.8190 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8022 -3.9408 1.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 -1.6890 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 -2.2061 1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 -1.1450 1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3939 -0.1510 2.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 -0.7968 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 -0.6017 5.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 0.3003 5.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 1.3219 6.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9181 2.5938 5.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 3.1830 4.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4075 4.0785 4.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5436 3.9541 4.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8313 2.8853 3.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1606 3.4395 1.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 3.2101 1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4389 2.4176 1.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7447 1.2551 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 0.4825 5.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 2.2541 4.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3541 1.6016 5.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 2.1759 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8690 3.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -0.8007 3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -0.4019 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 1.6192 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 2.5381 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6973 2.4612 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4654 2.7050 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 2.9276 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 1.5666 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 0.0586 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3773 0.4553 -4.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2655 3.3197 -3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3764 2.8287 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 3.6931 -5.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 2.0651 -7.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.2056 -5.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 0.0948 -5.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0105 -0.0097 -8.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 -1.4607 -9.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -1.2559 -8.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 -2.6870 -7.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.2830 -5.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -1.9258 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.9315 -6.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -4.1922 -5.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 -5.3419 -5.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 -3.8041 -4.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 -5.7888 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 -4.9115 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 -4.7897 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 -5.0455 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 -3.9444 1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1001 -2.3197 3.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -1.2144 2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6386 -0.8195 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 0.3344 1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7168 2.3455 3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1374 1.6584 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1841 1.8787 4.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5537 0.2168 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7007 -1.3450 4.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8567 -0.7935 3.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 1.0655 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4993 -0.6339 4.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3466 0.7682 5.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 -0.9575 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -1.1216 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 -2.8901 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5912 -2.8743 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7109 -1.5438 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 -0.5267 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4844 0.4604 2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 0.5481 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -1.4988 4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.1593 5.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5599 0.6282 4.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9637 -0.3861 5.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 0.9684 7.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 3.2630 6.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 2.4789 3.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 3.9216 4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3237 4.9313 5.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3751 4.6585 4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7809 2.4008 3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1189 2.0582 3.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 4.0647 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4594 3.6781 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4022 2.0373 2.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 3.0672 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 1.5624 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1297 0.3768 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 1.0485 0.9533 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 35 36 1 0 35 37 1 0 35 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 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 38107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M CHG 2 31 -1 35 1 M END