HMDB0042368 RDKit 3D TG(14:0/18:1(9Z)/14:1(9Z)) 145144 0 0 0 0 0 0 0 0999 V2000 1.9765 0.8122 -4.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 1.1440 -3.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 1.3419 -2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 0.0567 -2.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -0.9407 -1.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5967 -2.1059 -2.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 -2.5511 -3.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0389 -2.9068 -4.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -4.0056 -4.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -3.9982 -3.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -2.9311 -3.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 -3.0906 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -2.8020 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 -1.3494 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -0.5927 -1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -0.8432 0.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 0.5275 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 0.8745 2.0915 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8836 0.5775 2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 1.3547 1.4336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 2.7319 1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 3.2992 2.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 3.6409 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 5.0533 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 5.9743 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 5.9274 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 6.9262 -2.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 6.9628 -3.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 5.6552 -4.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 5.5512 -5.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 5.3859 -5.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 6.1893 -5.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6446 5.9182 -3.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 4.4715 -3.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 4.2207 -2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 0.3188 2.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 1.1143 3.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 2.4015 3.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 0.8557 4.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -0.4364 4.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 -1.5975 5.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -1.5254 6.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 -0.6966 7.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -0.9949 6.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0573 -0.9831 5.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 -1.2916 5.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7673 -2.3728 4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -3.3361 4.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -3.5405 2.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4222 -4.5576 2.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -4.1724 2.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -5.2291 2.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.7067 2.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -5.6352 2.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5343 -5.0118 3.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 1.7207 -5.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 0.1414 -4.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 0.3437 -5.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 2.0727 -3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 0.3336 -2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 1.5331 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 2.1343 -2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -0.0883 -3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 0.3310 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 -0.7019 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -2.8071 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 -3.5006 -3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.8724 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 -1.9684 -4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -2.9915 -5.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 -4.1443 -5.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -5.0172 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -4.9738 -3.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -4.0962 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -1.9163 -3.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -3.1036 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -2.4942 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 -4.1767 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -3.3190 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 -3.1885 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.1085 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 0.8628 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 1.9777 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 0.9856 3.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -0.4463 2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 3.5341 -0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 3.2953 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3266 5.3850 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 5.1554 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 7.0298 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 5.7247 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 4.9052 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 6.2389 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 7.9136 -1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 6.6201 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 7.6918 -3.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 7.4087 -3.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 4.8966 -3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 5.3915 -4.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 4.7057 -6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 6.4677 -6.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 5.4610 -6.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4831 4.2606 -5.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 6.1432 -5.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0166 7.3005 -5.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 6.5886 -3.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 5.9206 -3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 4.4471 -4.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 3.7841 -3.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 3.4463 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 5.1856 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 3.8250 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1913 1.4622 5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 1.4839 4.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -0.8547 4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 -0.2486 5.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1611 -2.3744 5.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 -2.1143 4.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 -1.4545 7.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 -2.6239 7.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6155 -0.6584 8.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 0.3838 7.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -1.9199 7.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -0.1867 7.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 -1.4367 4.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 0.1474 5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -0.5908 5.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 -2.6185 4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -4.3463 4.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 -3.2394 4.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 -3.8677 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -2.5643 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 -4.7408 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 -5.5546 2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -3.1915 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 -4.1482 3.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 -5.3499 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -6.1426 2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 -4.5396 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 -3.7151 2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0875 -6.6372 3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -5.7100 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3999 -3.9133 3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5917 -5.3483 4.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4658 -5.3311 2.6833 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 2 0 6 7 1 0 7 8 1 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 2 0 14 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 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 18 36 1 0 36 37 1 0 37 38 2 0 37 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 46 47 2 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 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 0 17 82 1 0 18 83 1 6 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 55145 1 0 M END