HMDB0044970 RDKit 3D TG(18:0/20:1(11Z)/16:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -5.6422 -2.6519 4.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5242 -3.1255 3.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7741 -4.4570 2.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7212 -4.8324 1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -6.1235 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 -6.3237 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5337 -6.3666 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1139 -5.5225 -1.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4319 -4.4093 -2.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0221 -3.0911 -1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -1.9287 -2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9621 -0.6741 -1.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 0.5965 -2.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 0.7947 -2.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 0.8370 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 1.0696 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 0.9799 -0.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 1.4020 -2.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.6227 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 1.9968 -3.9329 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7408 1.8467 -4.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 0.5748 -3.6568 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 -0.0243 -3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 0.6149 -3.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3773 -1.3607 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 -1.7617 -2.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 -0.8494 -1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -1.0200 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6828 -2.1739 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 -3.5050 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -4.5935 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 -4.7488 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -5.1774 1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 -4.3598 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -4.8476 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 -4.7845 1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 -3.3561 2.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -3.1255 3.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -3.4622 3.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -2.5883 2.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -1.1238 2.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 3.1372 -4.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 3.1896 -5.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 2.0264 -5.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 4.3460 -5.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 4.8843 -4.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 5.6161 -3.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 5.0760 -2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 5.9113 -1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 5.3242 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 5.8804 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 5.3452 1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 3.8193 1.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 3.5991 1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 2.8893 2.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 2.1801 3.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 2.7667 5.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9497 1.9752 6.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 1.8468 5.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 3.1124 5.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 2.7059 5.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 3.8619 5.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 4.8486 4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -1.7921 4.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6789 -2.2488 4.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0251 -3.4944 5.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5069 -3.2759 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9799 -2.3503 2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3002 -5.2171 3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 -4.3051 3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -4.0296 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7437 -4.8724 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -6.0926 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 -7.0187 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -5.5555 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 -7.3206 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1003 -7.1974 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 -5.6816 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7385 -4.4820 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 -4.4188 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1139 -3.0911 -1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8951 -2.9337 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -1.9961 -3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -1.9509 -2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -0.6150 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0526 -0.6967 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 0.6892 -3.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9779 1.4283 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7362 1.7018 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -0.1014 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 1.6838 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -0.0839 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 2.3448 -1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 0.6688 -2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 1.1242 -4.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 2.6358 -3.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 1.9850 -5.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -1.5632 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 -2.0822 -3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -1.9812 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 -2.7632 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -0.6811 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 0.1939 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3078 -0.9324 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 -0.0445 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6574 -1.9573 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 -2.1500 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 -3.4839 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 -3.8006 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -4.5599 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 -5.5533 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4377 -5.5553 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0196 -3.8538 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6818 -6.2596 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -5.3065 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -4.5465 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 -3.2996 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -5.8787 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -4.1713 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -5.5033 2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 -5.0942 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -3.0823 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -2.7138 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9294 -2.0506 3.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2742 -3.6964 4.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 -3.1402 4.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -4.5189 3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 -2.7605 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -2.7858 2.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 -0.5019 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -0.7387 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1705 -0.9580 3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 4.0075 -6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 5.1064 -5.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 5.5960 -4.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9411 4.0508 -4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 6.6816 -3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 5.8260 -2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 5.2807 -2.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 4.0552 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 5.9205 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 6.9533 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2882 4.2205 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 5.5222 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 5.6884 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 6.9995 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 5.6638 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 5.7001 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 3.3701 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 3.4974 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 4.0844 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5457 2.8287 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.0909 3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 2.2076 3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 2.7278 5.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 3.8200 5.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 0.9804 6.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 2.5057 7.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3652 1.2469 4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 1.1917 6.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 3.8493 5.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 3.5971 6.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 2.0462 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 2.1770 4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 3.4658 5.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 4.4014 6.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 5.7472 4.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 4.2868 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 5.1312 3.8385 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 2 0 8 9 1 0 9 10 1 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 2 0 16 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 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 40 41 1 0 20 42 1 0 42 43 1 0 43 44 2 0 43 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 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 19 93 1 0 19 94 1 0 20 95 1 6 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 41132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END