HMDB0009533 RDKit 3D PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -16.9065 1.1906 3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5338 1.1685 2.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1120 2.4926 1.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8636 2.8113 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9283 2.0136 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3559 0.6409 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6678 -0.3984 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2437 -0.3783 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4434 -1.2708 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4438 -0.9469 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7585 0.2951 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1402 1.5331 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3993 2.2049 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0631 1.9780 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3457 0.7639 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2156 0.6923 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4768 1.8687 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 1.8543 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 0.6452 2.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 0.4513 1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 0.7721 2.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -0.0429 0.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -0.1848 0.7743 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7690 0.6982 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 0.5662 -0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5782 1.1272 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 1.8619 -2.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 0.8487 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 0.1161 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 -0.3810 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 0.4918 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 1.1902 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 0.2100 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 -0.7267 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8227 0.0505 1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5538 -0.9837 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5803 -0.5416 3.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8026 0.1524 2.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5767 1.3836 1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 1.6709 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7583 0.6781 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1494 1.2268 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9111 0.1704 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3018 0.7034 -1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1291 -0.3080 -2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4955 0.2482 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2155 0.6029 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3639 -0.6201 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 -1.6327 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -2.0664 -0.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -3.6549 -1.0367 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2591 -4.5677 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -3.7850 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 -4.2946 -2.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -3.2739 -3.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 -3.7927 -4.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3563 -4.6263 -3.8902 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.8818 1.9013 3.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7233 1.2995 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0159 0.1674 3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3163 0.3019 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8510 0.9951 3.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9922 3.3151 2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5419 3.8993 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6596 2.5523 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9872 2.0991 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4308 0.4068 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1208 -1.4043 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2735 -0.9418 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8215 0.5713 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8176 -2.3477 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9933 -1.8191 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9878 0.5133 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6618 0.1829 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1447 1.9828 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9125 3.1541 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1803 1.9208 -2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4223 2.9016 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7584 -0.2195 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7611 -0.3088 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 2.8134 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3975 1.7889 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8295 2.7397 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4507 2.0330 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 0.6121 3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3957 -0.2415 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 0.1198 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 1.7296 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 0.3792 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 0.2868 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 1.8662 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 0.7031 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 -0.8177 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 -1.1958 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 -1.0503 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 -0.0283 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 1.3225 2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5955 1.8441 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 1.8585 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 0.8067 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -0.3672 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 -1.3970 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3233 -1.3836 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 0.6814 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4044 0.6023 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 -1.7885 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -1.5115 2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -1.4970 3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1168 0.0042 3.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4385 -0.6119 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3998 0.4164 3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0004 2.1740 2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7255 2.6538 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7487 -0.3427 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2512 0.6352 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 1.5135 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0714 2.1362 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 -0.0536 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 -0.7841 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7627 0.9490 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1759 1.6058 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6197 -0.6242 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2136 -1.2276 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4059 1.1744 -3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0625 -0.5128 -3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7106 1.4418 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2212 0.9854 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8095 -1.4334 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3602 -0.9036 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0455 -0.3214 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -1.7870 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 -2.2610 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1395 -4.1436 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -2.5641 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 -2.6961 -2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6048 -2.8950 -4.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5618 -4.3663 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 -4.3618 -4.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3638 -4.9072 -2.9002 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 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 2 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 23 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 1 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 M END