HMDB0008838 RDKit 3D PE(14:0/20:4(5Z,8Z,11Z,14Z)) 119118 0 0 0 0 0 0 0 0999 V2000 12.5299 2.9058 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0235 1.5515 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4584 0.3859 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6732 0.2674 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1355 1.3489 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 1.0081 2.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5703 0.8067 3.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1065 0.8979 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4725 -0.3505 3.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7482 -1.1331 3.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2927 -1.1037 1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7118 -0.0698 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 0.8414 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 1.0845 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7261 0.2952 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -0.4536 0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4206 -0.5544 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 -0.1019 -1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7419 1.3194 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 1.6609 -1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 2.5265 -2.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 1.0941 -0.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 1.4675 -1.1924 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0568 1.9201 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 2.2880 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 2.6915 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 2.7298 0.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4289 3.0417 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8031 2.5362 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9926 1.0599 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2365 0.3479 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5053 -1.1688 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9735 -1.4403 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5947 -0.9500 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0909 -1.2900 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8220 -0.8189 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2842 -1.1309 2.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8966 -0.4533 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3935 -0.7772 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9918 -0.0959 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 0.2869 -1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -0.1148 -3.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -1.4277 -3.8335 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4494 -2.3977 -4.1553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -0.8009 -5.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 -2.1969 -2.8821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2385 -3.3731 -2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -4.0601 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -5.2957 -0.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5677 2.8523 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 3.4861 -2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 3.4998 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1423 1.4860 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7239 1.3977 -2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3487 0.2684 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9270 -0.5261 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7749 0.1238 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2362 -0.7071 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1306 1.6940 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7891 2.2680 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4872 0.9129 2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 0.5581 4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7141 1.6857 4.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7780 1.2722 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 -0.6936 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3743 -2.0550 3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7818 -2.0852 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 -1.4075 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8218 -0.0796 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6217 1.5417 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 1.1946 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 2.1891 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8066 0.2780 2.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1374 -1.0096 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 -0.2213 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -1.6877 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2497 -0.7414 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -0.2349 -2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 2.0434 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 1.3530 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 2.2517 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 2.8467 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 1.1234 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 4.1683 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1239 2.6977 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1912 3.0078 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4352 2.9560 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7396 0.6843 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1119 0.8944 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4829 0.7228 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 0.4042 -0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1459 -1.5850 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9434 -1.6470 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -2.5699 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5414 -1.1501 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2566 -1.5484 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4296 0.1027 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2128 -2.3690 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4758 -0.7582 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6786 0.2881 2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3911 -1.3263 3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3824 -2.2318 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8183 -0.8316 3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8308 0.6386 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4503 -0.7856 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4982 -1.8736 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8529 -0.4021 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1417 0.9876 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3165 -0.2530 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9649 -0.5279 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 0.5976 -2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 -0.5511 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -1.4608 -5.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3076 -3.3025 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 -4.0753 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -3.4327 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1986 -4.3318 -2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 -5.4371 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 -5.3812 -1.0350 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 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 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 23 81 1 6 24 82 1 0 24 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 45113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 M END