HMDB0286291 RDKit 3D PC(18:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 144143 0 0 0 0 0 0 0 0999 V2000 4.9294 3.0532 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8546 1.9804 4.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 1.9044 5.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 2.1041 5.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 2.4472 4.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 1.4119 3.9747 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4648 0.1856 3.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.7431 2.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 2.0303 1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 2.3514 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3857 2.5799 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 2.4991 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 2.7156 -1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 2.5616 -1.7242 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9569 3.6613 -2.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 1.3296 -2.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 1.0423 -2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4755 -0.1198 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -1.2210 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -2.4421 -2.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 -3.0530 -2.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 -2.6537 -3.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 -3.6710 -3.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 -4.0641 -1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0448 -5.2655 -1.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 -3.2466 -0.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 -3.8198 0.7236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2136 -3.0580 1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 -2.9770 0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 -2.3955 1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -1.9553 2.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -2.2589 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -2.4315 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -2.2327 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 -0.8506 -2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -0.4728 -3.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8491 -0.5276 -4.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 0.3602 -4.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 0.4214 -5.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 0.9879 -7.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 2.4139 -6.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 3.2462 -6.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 4.6706 -6.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 5.3820 -5.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 6.8027 -5.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 6.9319 -4.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 6.1673 -2.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 6.3870 -1.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -3.7069 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 -4.2287 2.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -4.1226 3.8742 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6159 -3.0324 3.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -5.5865 3.8606 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1294 -3.9077 5.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -3.1657 5.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -3.0675 6.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -2.3251 7.2074 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5872 -2.4965 6.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 -0.9143 7.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -2.8442 8.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 2.5798 4.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 3.4504 5.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 3.9112 3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 2.2090 3.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 0.9822 4.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 1.6415 6.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 2.0133 6.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 2.5073 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3687 3.4441 4.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 1.3692 4.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 0.1300 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 1.7723 2.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 1.9876 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 2.4065 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 2.8297 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 2.2361 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 2.9772 -2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 2.3634 -0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 4.3385 -2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 0.4975 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 1.6590 -3.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 1.7615 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -0.3040 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 -1.0413 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -1.4598 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 -2.8848 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 -3.9915 -3.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7674 -2.5264 -4.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 -1.6425 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 -3.3063 -3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -4.5714 -3.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -4.8609 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -3.5903 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 -2.0446 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -1.2293 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0676 -2.9513 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -3.4809 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.7593 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 -3.0168 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.4420 -3.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -0.8689 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 -0.1419 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3018 -1.2281 -3.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 0.5527 -3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5601 -1.5709 -4.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5665 -0.1256 -5.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -0.1326 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 1.3417 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.6476 -6.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 0.8992 -5.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 0.3349 -7.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 1.0232 -7.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 2.5368 -6.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3836 2.8168 -7.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 3.2748 -7.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 2.8399 -5.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 4.7778 -5.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 5.1671 -7.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 5.3058 -6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 4.8627 -4.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 7.1602 -4.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 7.4558 -6.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 8.0205 -3.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3684 6.6939 -4.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 5.0554 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 6.4308 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 6.1005 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 5.7502 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 7.4510 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -4.2620 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 -2.6738 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -2.1588 5.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 -3.6207 4.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -2.6660 7.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -4.1247 7.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -2.0382 6.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -3.5920 6.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -2.1173 5.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -0.4791 6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 -0.3794 7.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 -0.7599 8.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -2.0479 8.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 -3.3980 9.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -3.5875 8.1874 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 27 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 1 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 1 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 6 28 93 1 0 28 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 53 -1 57 1 M END