HMDB0056375 RDKit 3D DG(18:4n3/0:0/22:5n3) 114113 0 0 0 0 0 0 0 0999 V2000 11.0576 -1.1971 -4.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6312 0.2175 -4.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0899 0.2690 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8137 0.8519 -3.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1571 1.4771 -2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6305 0.8496 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9073 0.1830 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -0.0344 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 -1.4700 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2949 -2.0822 0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4941 -1.5525 1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5368 -0.1912 2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 0.6943 2.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 0.3748 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 1.2502 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 2.0477 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 2.1649 1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5437 1.7751 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.8013 1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 0.8836 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 0.8761 3.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 0.3734 3.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -0.0182 3.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 0.2611 1.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -0.2450 1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -0.0343 -0.2379 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9541 1.3360 -0.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -0.8303 -1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 -0.6083 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2828 -0.7803 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 -1.2227 0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 -0.4510 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1388 -1.3822 -1.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 -2.8222 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0463 -3.4214 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8296 -2.9427 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7090 -2.3619 1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1022 -2.1007 1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5029 -0.6989 1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9152 -0.0444 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0068 -0.6651 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2360 -0.8775 -2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4504 -0.6670 -1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0171 -0.1149 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8181 1.1015 -0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6302 2.2821 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6547 2.6852 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4033 3.2916 1.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0161 -1.5777 -5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 -1.8196 -3.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0527 -1.2069 -3.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0968 0.8969 -3.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3310 0.5872 -5.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6990 -0.1635 -4.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8995 0.8653 -3.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6209 2.5543 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 1.6658 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7150 0.9823 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3939 -0.2165 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3119 0.2561 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 0.5944 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6354 -2.0983 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2047 -3.1937 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4372 -1.9209 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7428 -2.1885 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4816 0.2065 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 1.7084 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 0.4247 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 -0.6655 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 1.2326 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 2.6758 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 3.2652 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 1.5670 2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 0.7782 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 2.4824 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 1.5657 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 2.8728 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -0.1791 2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 1.0586 3.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 1.9335 4.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 0.2711 4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -1.3182 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 0.3023 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -0.3896 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 1.6904 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -1.9386 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -0.7812 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3289 -0.4264 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 0.6089 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1268 -0.9671 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4709 -1.1326 -2.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0988 -3.1474 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -3.3417 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7154 -4.5369 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1042 -3.5396 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8201 -3.1279 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3607 -2.0612 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4222 -2.7190 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7186 -2.5632 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4435 -0.1812 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1572 1.0557 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3772 -1.6161 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3082 -0.0048 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -1.3272 -3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2665 -0.9339 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2499 0.0800 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8065 -0.8161 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5825 0.8976 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3219 3.0664 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0094 1.8754 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0257 3.4952 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9537 2.5401 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6017 3.6890 2.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0047 4.1239 1.5046 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 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 26 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 1 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 48114 1 0 M END