HMDB0007419 RDKit 3D DG(20:2(11Z,14Z)/18:0/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -14.5718 -3.4500 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8192 -2.1333 -1.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7612 -1.1046 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0850 0.1942 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9654 0.1505 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3859 -0.3030 1.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2808 0.4091 2.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7100 1.7762 2.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5123 1.7497 3.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 2.0317 3.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0037 2.3941 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 1.3754 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7163 1.7693 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7824 0.7663 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 0.6673 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 1.9687 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 2.1458 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 1.4471 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 -0.0197 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9164 -0.6373 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -1.8754 0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8368 0.0557 -0.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 -0.5415 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 0.5358 -1.2067 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7024 1.2808 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 0.4512 -3.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 0.1408 -1.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.6342 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 1.5222 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 0.1389 -1.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -1.0211 -2.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -1.7624 -3.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -2.6762 -2.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -2.4393 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0127 -2.3468 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 -2.1004 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7535 -0.8343 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7559 -0.5972 2.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7221 -1.7185 2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5444 -2.0105 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4586 -0.9211 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4696 -0.5037 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3657 0.5548 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 1.7736 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4846 2.8668 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 2.2571 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9002 -4.1548 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4994 -3.2559 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7869 -3.8832 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3861 -1.7828 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9746 -2.3509 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5793 -0.8998 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2425 -1.4721 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7075 0.6416 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8425 0.9404 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4232 1.0907 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2544 -0.6478 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8186 -1.3191 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6249 -0.0037 3.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5960 2.2466 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4709 2.3885 3.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6245 1.4961 4.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4803 1.9934 3.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3679 3.3338 1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8138 2.6641 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1357 1.4074 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4262 0.3606 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6503 1.7293 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3491 2.8024 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2332 -0.2421 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5201 1.0310 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9581 -0.1924 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 0.3734 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 2.4129 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4704 2.7039 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1775 3.2715 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 1.9086 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.8129 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 1.7242 -0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 -0.3864 -0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -0.4572 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 -0.9168 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2261 -1.3433 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 1.3142 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 2.1703 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 1.5945 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.4112 -3.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 0.9571 -2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8577 0.0769 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1972 -0.5975 -3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 -1.7270 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -2.3828 -3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 -1.0088 -3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -3.6405 -2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -3.1058 -3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4356 -3.2914 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 -1.5266 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 -1.6994 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -3.4432 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 -2.0958 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 -2.9994 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2865 -0.7301 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0123 0.0075 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1243 -0.5474 3.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1912 0.3847 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1874 -2.6395 2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -1.4948 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2122 -2.8838 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9485 -2.3515 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 -0.1138 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0570 -1.4123 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 -1.4101 1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 -0.0638 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8863 0.1686 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1492 0.8372 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7863 1.5987 -0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0969 2.2416 1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8554 3.7435 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2581 3.1021 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4091 1.5973 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9968 1.6333 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4576 3.0631 -1.8504 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 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 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 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 1 25 85 1 0 25 86 1 0 26 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 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 M END