HMDB0007833 RDKit 3D DG(24:1(15Z)/20:1(11Z)/0:0) 140139 0 0 0 0 0 0 0 0999 V2000 17.4437 1.9042 -2.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1127 1.9214 -2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9604 0.6830 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6416 0.7457 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4614 -0.4678 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4942 -1.7554 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4181 -1.8179 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9970 -1.7541 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7519 -2.8763 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3871 -2.8034 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 -1.5660 1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7433 -1.5605 2.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 -1.6877 1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5701 -0.6468 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 0.7419 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2352 1.0233 1.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 0.7591 1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 1.1057 1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 0.8499 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 1.6704 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 1.6527 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 2.3019 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 1.8410 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 0.4261 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.1918 0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 -0.1841 2.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 -1.4648 2.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.5395 2.0675 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9512 -2.9261 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -3.1730 3.6905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 -1.1765 0.7354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -0.0594 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 0.5356 1.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 0.3683 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 1.6748 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 1.6711 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4957 0.6654 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8351 0.6640 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5841 1.9454 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9509 2.4720 -1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7929 1.7062 -2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1799 1.3412 -2.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3960 0.4653 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0133 -0.7398 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5092 -1.2724 -2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9634 -1.5272 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6335 -2.5190 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6417 -2.3580 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2390 -1.0606 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1325 -1.1365 1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7136 0.1380 2.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9623 1.3512 1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3633 2.3870 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2523 2.3235 -2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7156 0.8444 -3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1245 2.7949 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2531 2.0116 -2.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7578 0.6299 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0342 -0.1908 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7846 0.8838 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6608 1.6346 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2180 -0.4467 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4836 -0.3559 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4701 -1.9364 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3682 -2.6135 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 -0.9847 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4716 -2.7675 -2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -0.7590 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3532 -1.9383 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9015 -3.8862 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 -3.7405 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2202 -0.6295 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8114 -1.5054 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 -0.6997 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -2.4690 3.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 -1.7424 2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7447 -2.7054 1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 -0.9272 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 -0.6480 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3617 1.0481 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3451 1.4045 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 2.1347 1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 0.5549 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9498 1.5038 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -0.2691 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 2.1767 2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 0.4758 2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 0.8910 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5186 -0.2658 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 1.2767 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 2.7505 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 0.5602 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 2.1705 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 2.3324 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.4371 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 2.4388 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 2.1487 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -1.7852 3.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -2.1732 2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 -0.8593 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0527 -2.8122 2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -3.6994 1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 -2.3572 4.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 -0.4297 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 0.3686 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3425 1.9682 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 2.4578 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 1.6193 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0173 2.7215 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5606 0.7999 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 -0.3576 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4094 -0.2039 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6414 0.4264 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3577 1.9841 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8319 2.7264 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4926 3.4599 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 2.8366 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3039 0.7658 -2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8581 2.3265 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7392 2.3201 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7794 1.0669 -3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0826 0.7723 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0704 -1.2676 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0623 -0.8157 -3.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0389 -2.3353 -2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5403 -0.5528 -2.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0948 -1.9098 -3.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1598 -3.5449 -1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7025 -2.7243 -2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4046 -3.1438 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7502 -2.5934 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3088 -0.9474 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6187 -0.1918 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6329 -2.0282 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0533 -1.1364 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6667 0.1557 3.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7790 0.2895 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1197 1.5839 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8739 1.2979 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3480 2.2291 2.3555 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 1 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 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 1 29101 1 0 29102 1 0 30103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 M END