HMDB0009457 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) 123122 0 0 0 0 0 0 0 0999 V2000 -13.9628 4.8423 -2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7544 3.5419 -1.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7208 3.7220 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6231 3.0125 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2421 1.9424 -1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0799 0.6947 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9473 0.0499 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7395 0.4390 -1.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5357 0.7393 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3072 0.7727 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2864 0.5022 1.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2074 -0.6207 2.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3302 -1.5612 2.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1826 -1.7458 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9617 -1.6599 2.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 -2.6547 2.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -3.9345 1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 -4.3250 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 -3.5467 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 -2.1655 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 -1.4656 -1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -1.5465 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 -0.2411 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 0.0133 0.5223 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6320 -0.9284 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 -2.2415 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 -3.3156 1.7777 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8695 -3.3224 3.2687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 -4.8976 1.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -2.9258 1.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -4.0682 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0639 -3.7278 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9016 -4.9130 1.4838 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.3330 0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 2.2274 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 1.8828 -1.4601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 3.5921 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 3.7015 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 3.4628 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 3.6025 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 2.6032 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 1.7026 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 1.6119 -1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0835 0.2590 -2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -0.6801 -2.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 -0.6555 -2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 0.5193 -2.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9921 0.6574 -1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2265 -0.4375 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5851 -0.9882 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7191 -0.2127 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0768 1.0432 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3581 1.6528 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1798 4.8468 -3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9419 5.7091 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9392 4.7440 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7325 3.3394 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5850 2.7728 -2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9189 4.5082 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9304 3.2633 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0903 1.7522 -2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4092 2.2315 -2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9408 0.3163 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9340 -0.8990 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8768 1.1904 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4352 -0.5087 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5932 1.0014 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2471 1.0853 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1957 1.4241 2.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3553 0.7071 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0536 -0.6672 3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4858 -2.3301 3.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2003 -2.7872 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0524 -1.1118 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -0.7316 2.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2403 -2.5185 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 -4.2581 1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 -4.7015 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -5.4171 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 -4.3162 1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 -3.5443 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 -4.1003 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -0.0947 2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 0.5318 0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.2123 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 -0.8546 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -0.7012 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -4.8721 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4653 -4.5837 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -4.7306 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 -2.9834 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -3.2647 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -5.3084 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -5.5767 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 4.3342 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 3.8241 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 4.7282 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 3.0015 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 2.4812 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 4.2505 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 4.6135 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9472 3.8008 -1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 2.5602 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 0.9790 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7778 2.2982 -2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 1.9397 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9899 0.0395 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3757 -1.6339 -2.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 -1.6024 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -0.9006 -3.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 1.4200 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4606 1.6215 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9543 -0.0219 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 -1.2868 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8684 -1.4482 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4786 -1.9473 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6475 -0.8794 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5814 -0.0168 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1423 1.0035 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2899 1.8072 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3528 2.7228 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2202 1.1203 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2616 1.4997 1.2175 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 23 83 1 0 23 84 1 0 24 85 1 6 25 86 1 0 25 87 1 0 29 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 M END