HMDB0008714 RDKit 3D PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 146145 0 0 0 0 0 0 0 0999 V2000 -7.5018 -2.9172 5.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3251 -3.0446 4.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8748 -2.9005 2.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6913 -2.5881 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 -2.3050 3.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 -3.2810 3.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -2.9246 2.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 -1.5122 2.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -1.3730 3.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 -1.1733 3.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.0742 1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -2.2187 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -2.2319 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 -0.9619 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -1.0106 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -0.9737 0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 -0.8779 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 -2.1083 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -2.1346 -2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -2.0003 -3.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 -2.0434 -5.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -1.8027 -5.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -1.5482 -6.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 -1.8521 -4.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -1.6157 -5.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 -1.8337 -3.9758 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4496 -3.3572 -3.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -3.7782 -3.5305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -5.4413 -3.3538 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0336 -5.9784 -4.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 -6.1521 -4.0446 O 0 0 0 0 0 1 0 0 0 0 0 0 1.9448 -5.8498 -1.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 -5.7548 -1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2504 -6.1736 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -6.1210 0.8040 N 0 0 0 0 0 4 0 0 0 0 0 0 4.6608 -7.3247 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6508 -4.9851 1.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 -6.0870 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 -1.4946 -4.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -0.5988 -3.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 -0.2024 -2.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.1224 -3.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.1277 -2.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 2.3883 -3.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 2.5070 -3.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 3.9817 -3.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 4.0977 -3.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 4.8984 -3.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 5.9579 -2.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 6.2737 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 6.1534 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 5.6566 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 4.4264 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 4.3588 2.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 5.4294 3.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 5.7346 3.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 6.8848 3.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 8.0757 3.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 8.6767 2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 8.2945 1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 7.1420 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5063 6.3627 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3139 -1.9254 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 -3.6132 5.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0834 -3.4142 6.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1665 -2.2444 4.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0180 -3.9813 4.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6582 -3.0817 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 -2.5401 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6922 -1.9374 4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1664 -1.2974 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -4.3355 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 -3.7053 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 -0.7356 2.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -1.4937 1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8991 -1.4404 4.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 -1.0765 3.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -0.1219 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 -1.0839 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -3.2155 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 -3.2040 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -0.0726 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 -0.9816 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -1.0731 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 -1.0166 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -0.5120 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 -0.0485 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 -2.1178 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 -3.0550 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -3.1010 -2.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -1.2698 -2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 -2.8287 -3.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -1.0443 -3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 -3.0252 -5.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -1.1939 -5.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.5235 -5.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -2.2535 -5.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -1.3835 -3.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -3.6240 -2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -3.7869 -4.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -6.4339 -1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 -4.6901 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 -5.5660 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8412 -7.2161 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -7.2156 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -7.3125 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -8.2145 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 -5.2917 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 -4.7717 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -4.1294 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 -5.6038 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9091 -7.1165 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4294 -5.4605 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 -0.9485 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -0.0577 -4.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 0.9453 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 1.2701 -2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 3.2212 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 2.7417 -4.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5104 2.4186 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 1.8342 -4.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 4.0775 -4.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 4.6323 -3.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 3.3588 -4.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 4.7385 -3.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 5.8215 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 6.9461 -3.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 6.7116 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 6.4279 -0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 6.4507 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 5.4936 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2761 3.5372 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 3.4007 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 4.9576 4.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 6.3014 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 4.8850 4.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 6.9485 4.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 8.9359 3.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6493 7.9455 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 9.6239 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9524 8.9565 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4804 7.5743 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 6.4793 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 5.2814 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5174 6.5079 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 6.7410 -0.3142 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 1 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 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 1 27 99 1 0 27100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 36105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 38113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 60141 1 0 61142 1 0 61143 1 0 62144 1 0 62145 1 0 62146 1 0 M CHG 2 31 -1 35 1 M END