HMDB0009637 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -15.8371 4.0980 -4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3997 4.4378 -4.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2357 4.4705 -2.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5803 3.1104 -2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4073 3.1947 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7607 1.8734 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9503 1.1268 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5630 1.4605 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6494 0.3911 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9331 -0.3321 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0116 -0.1201 2.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8934 0.3050 3.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6629 0.5883 3.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0685 0.5433 1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -0.3820 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -1.2673 2.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7441 -1.6118 3.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8633 -1.4053 4.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 -0.9452 4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -0.4658 3.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 -1.2282 3.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 -0.7521 2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 0.0613 1.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -1.1899 2.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 -0.9050 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 -1.3398 0.3051 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1710 -2.8451 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 -3.2743 1.0635 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -4.9720 0.9925 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1662 -5.4212 0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 -5.4922 2.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -5.6520 0.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -6.6055 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 -7.2371 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -8.2253 -2.1076 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 -1.0469 -0.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 -0.3103 -1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 0.1794 -2.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -0.0630 -2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -0.7621 -1.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 -2.1990 -1.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 -3.0644 -2.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 -2.6849 -3.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 -3.3104 -2.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 -2.7209 -1.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1123 -1.2247 -1.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2077 -0.6545 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 0.0056 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4307 0.2291 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5608 -0.4636 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6563 0.1270 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 1.5647 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1164 2.2842 0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2660 2.8664 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4326 2.8778 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9426 4.2262 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0351 5.1189 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7794 5.5620 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0778 6.2995 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9115 3.0535 -5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4904 4.2217 -3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1503 4.8023 -5.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0989 5.4142 -4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7319 3.6389 -4.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9292 5.2232 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1814 4.6834 -2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9051 2.3473 -2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6239 2.7985 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1989 3.9336 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4123 3.5491 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8059 1.4954 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3694 0.1479 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2018 2.3736 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4015 1.7606 1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5787 0.2122 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2747 -1.1497 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9896 0.3523 2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2338 -1.2126 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1116 0.4261 4.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 0.9381 3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7412 0.4884 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5406 1.5967 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4649 -0.3481 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5665 -1.8566 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 -1.3205 3.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9707 -2.8137 3.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 -1.7281 5.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -0.9031 5.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 0.5602 4.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -0.1932 2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9556 -1.0830 4.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -2.3245 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 -1.4594 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 0.1971 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -0.8645 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -3.3153 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -3.1775 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6567 -4.7414 3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 -6.1892 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -7.4064 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 -6.4581 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 -7.6585 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 -8.0447 -3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -8.4780 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -0.5399 -3.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.9940 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -0.3783 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 -0.3829 -2.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 -2.6521 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 -4.1575 -2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -3.2902 -4.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8687 -1.6623 -3.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9147 -4.4161 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 -3.2845 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0089 -1.0424 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2825 -0.7640 -2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 -0.8008 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2636 0.4167 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -0.0779 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 1.3509 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 -1.5665 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4578 -0.4811 0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0903 2.0381 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7717 1.6104 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3075 2.3556 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3582 3.3953 2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3409 2.3268 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3157 2.3561 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3059 4.7610 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8593 4.0894 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7271 4.6360 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5776 6.0853 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3657 6.3850 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 4.8152 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 6.6297 1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6244 5.7218 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6741 7.2135 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 26 36 1 0 36 37 1 0 37 38 2 0 37 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END