HMDB0298523 RDKit 3D DG(i-13:0/0:0/20:3(8Z,11Z,14Z)-O(5,6)) 104104 0 0 0 0 0 0 0 0999 V2000 15.9233 0.6878 3.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2098 -0.3964 2.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6362 0.2991 1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9117 -0.7317 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3328 -0.0573 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 0.9637 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1264 0.9655 -0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5372 -0.1320 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9733 0.4592 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 0.3855 -3.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -0.2902 -2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6577 -1.0993 -1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 -0.8585 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 0.2961 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 -0.2607 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 0.6391 0.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7134 0.1459 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -0.9442 -1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 -1.6101 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 -0.7508 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 -0.0530 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 0.5616 -1.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -0.0153 -0.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 0.6897 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6209 0.4932 -0.7397 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4630 1.2190 -1.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 0.9011 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 0.7743 1.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6813 -0.4145 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0991 -1.4477 0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0526 -0.5734 1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6096 0.7424 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8721 1.7393 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8988 1.5025 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3141 1.4200 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9207 0.3455 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8885 -1.0071 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5752 -1.2578 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9972 -1.3205 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9885 -0.2924 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3427 -0.8510 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3007 -0.3837 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9659 0.8176 2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4031 1.6732 3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 0.5047 4.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9039 -1.2190 2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3373 -0.7437 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9357 1.0491 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4804 0.7456 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 -1.0039 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 -1.6061 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2009 0.4855 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9996 -0.8631 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8073 1.7858 0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4395 1.7568 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -0.6556 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2900 -0.8789 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7006 1.0425 -3.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 0.9518 -4.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1067 -0.8998 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7991 0.5071 -2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 -2.0481 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1196 -1.5514 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0906 1.0605 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 0.7805 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 -1.2595 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 0.9086 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2838 -0.5839 -2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 -1.7518 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 -2.4494 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -2.1760 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 0.0033 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -1.3486 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 1.7585 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 0.2887 -2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8425 -0.6032 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 0.6221 -2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 1.9536 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 0.2730 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8745 -1.1861 2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6217 -1.1089 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 1.1961 3.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4002 0.5704 3.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8922 1.9099 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1104 2.7446 1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7922 2.3480 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5349 0.5987 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9796 1.6137 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5503 2.3928 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4715 0.2501 2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9628 0.6862 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8014 -1.3183 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2667 -1.7084 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1561 -2.2834 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1144 -0.6018 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4169 -2.3309 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1206 -1.5922 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9023 0.7003 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3650 -0.5897 -1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1210 -0.2827 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3579 -1.9331 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2864 0.5823 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2995 -0.8259 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5698 -1.0554 1.6879 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 40 41 1 0 40 42 1 0 17 15 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 1 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END