HMDB0048982 RDKit 3D TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 9.2653 -3.5616 6.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 -4.0910 4.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 -4.3670 4.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1288 -3.7627 3.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6184 -2.7707 2.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 -1.4226 2.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -0.7655 3.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 -1.3897 4.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 -1.5124 3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -0.9786 4.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -0.1881 5.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 -0.9055 6.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 -0.3299 7.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 1.0717 7.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 1.0833 7.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 1.6997 6.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 2.5370 5.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 2.1518 3.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 2.1872 3.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 1.9638 2.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4156 1.9549 2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 1.8443 0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1666 1.9589 0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 1.6418 -0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 1.5737 -1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5974 0.5084 -2.0653 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0189 0.6036 -3.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 0.7215 -4.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 0.7913 -5.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4206 0.7400 -6.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 0.9105 -6.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 1.0107 -6.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.1561 -6.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 0.0145 -6.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 -1.1605 -5.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 -1.0272 -5.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 0.1596 -4.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 0.1983 -4.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 0.1275 -4.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 -0.0087 -2.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 1.0737 -1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 1.3796 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9383 1.8229 -2.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 3.0704 -3.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 4.2526 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7693 0.3644 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2427 -0.9205 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6155 -1.8479 -1.4681 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4246 -1.1013 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7071 -1.5059 1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0488 -2.8073 1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 -3.1756 2.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9648 -2.0812 2.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -2.3271 2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -3.4750 2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 -3.3064 1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -1.9652 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 -1.9448 1.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -1.6375 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -1.2561 -0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.1772 -1.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 -0.0908 -1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.2784 -1.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 2.1588 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 3.2192 -1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 3.6340 -3.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 3.6979 -4.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9988 -4.3524 6.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6035 -2.7100 6.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3298 -3.2903 6.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6892 -5.1133 4.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7838 -3.5492 4.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 -5.1347 5.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 -4.1456 3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 -3.2473 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7601 -2.6680 2.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6532 -0.7734 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 0.3006 2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8107 -2.3055 4.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5184 -0.6396 5.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 -2.1036 2.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -1.0777 4.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 -0.0657 5.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 0.8079 5.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 -1.9756 6.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -0.9959 8.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5496 1.7053 6.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 1.5030 8.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 0.4895 7.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1746 1.5876 6.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 2.5852 5.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 3.6405 5.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 2.8590 3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 1.1080 3.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 1.3605 4.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 3.1590 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 0.9968 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 2.7909 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7501 1.0551 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 2.8059 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 1.6843 -2.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2541 2.5598 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 -0.5016 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6027 -0.2988 -3.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 1.4711 -3.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 1.7448 -7.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 0.0006 -7.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 1.9958 -6.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 1.0060 -7.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -1.0583 -6.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 -0.2947 -5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4507 0.8961 -5.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 0.1712 -7.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3224 -1.3729 -4.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 -2.0755 -6.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 -1.9845 -5.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -0.9934 -6.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.0631 -3.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5782 1.0678 -5.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.2960 -6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 0.1547 -4.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -0.1849 -2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -0.9649 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2276 2.0308 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 0.9571 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 2.2272 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 0.5263 -1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9478 2.1804 -2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 1.1055 -3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4298 2.9435 -3.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 3.3199 -4.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 4.3847 -2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 5.1924 -3.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 4.1117 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9932 -1.9563 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9725 -0.1866 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9972 -0.6611 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4717 -1.5222 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8533 -3.6214 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6235 -3.0233 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4446 -3.2105 3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 -4.1502 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7346 -1.7593 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4396 -1.2118 2.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 -1.4513 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9697 -2.7649 3.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3991 -4.4890 2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 -4.1689 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 -1.2282 2.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -1.4986 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3196 -2.2259 2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 -1.6912 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 -0.2730 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -1.9227 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6628 -2.1309 -1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -0.2113 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.2539 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 1.6223 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 1.8988 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1978 3.8830 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 3.2014 -3.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 4.7457 -2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 2.7340 -4.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 4.0146 -5.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 4.4361 -3.7489 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 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 2 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 26 46 1 0 46 47 1 0 47 48 2 0 47 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 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END