HMDB0042506 RDKit 3D TG(14:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -0.6246 -6.5356 5.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 -5.6496 5.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 -5.3386 6.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -4.1458 7.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -2.9040 6.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 -2.1425 7.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 -1.7221 7.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -1.8741 5.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -2.5078 6.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -3.5517 5.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -4.3981 4.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0949 -4.3285 3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 -3.9273 2.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 -3.4481 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2834 -4.3895 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -4.1912 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -5.1983 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 -4.9986 -2.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -3.7333 -3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -3.4035 -4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5214 -3.8624 -4.3322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 -2.6087 -5.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5267 -2.1784 -6.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.2474 -6.5791 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7175 -1.0369 -8.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 0.1912 -8.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 1.3528 -8.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 1.1951 -7.7896 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 2.6920 -8.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 3.7478 -8.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 3.7133 -8.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 4.8262 -8.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 4.5957 -6.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 3.3287 -6.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 3.0685 -4.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7193 1.7683 -4.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 1.2289 -3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 0.9769 -2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 0.3777 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.0802 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -0.8354 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 0.0410 -6.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 0.6976 -5.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4211 0.1134 -4.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 2.0541 -4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2088 2.2409 -3.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 3.7109 -2.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 3.7684 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 5.0787 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 4.9820 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 3.9456 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 3.6350 2.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 2.4627 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 2.7824 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 1.4399 2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 1.6597 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 0.3448 2.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -0.6391 3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 -1.1397 4.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 -0.7354 3.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2366 5.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 0.2245 5.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 0.6503 6.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1395 1.0938 7.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 2.2871 6.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 2.3064 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 3.6362 5.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 -6.1012 6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -6.5428 4.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -7.5512 6.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5084 -4.8257 4.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 -6.3143 5.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 -6.2290 7.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -4.0045 8.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 -3.0072 5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 -2.2753 6.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 -1.9187 8.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 -1.1454 7.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -2.5256 5.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.8310 5.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -1.9761 6.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 -3.8851 5.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 -4.1241 4.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 -5.4649 4.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1203 -4.6812 3.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -3.9335 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -3.5221 2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 -2.4327 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -5.4316 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -4.3248 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -3.1675 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -4.4907 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 -5.2901 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -6.1919 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -4.9801 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 -5.8414 -3.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -2.9566 -2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 -3.9808 -3.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -1.7602 -7.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8355 -3.0726 -7.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 -1.6832 -6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.9488 -8.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1945 -1.8892 -8.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 2.8869 -7.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3871 2.8920 -9.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 4.7413 -8.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 3.7903 -7.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 2.7722 -8.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 4.0496 -9.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 5.7584 -8.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 4.9086 -8.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 4.8198 -6.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 5.4253 -6.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 2.4335 -6.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 3.4866 -6.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 3.9162 -4.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 3.0926 -4.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 1.9693 -4.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 1.0280 -5.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 0.2882 -3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 1.9830 -2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.9578 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 0.2578 -3.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 1.0731 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 -0.5464 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 -0.4785 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3609 0.9565 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 -0.4645 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -0.8861 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 -1.8696 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 2.3830 -5.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 2.7218 -5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.0699 -2.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.6519 -2.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 4.3911 -3.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8488 3.9446 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 2.9701 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0345 3.5453 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 5.3873 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 5.8785 -1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 5.9850 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 4.8699 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7101 4.4072 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 3.0330 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 3.2872 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 4.4481 3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 1.5504 2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 2.2713 4.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 3.4071 3.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 3.2692 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 0.7460 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 1.0376 3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 2.1763 3.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0702 2.2706 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -0.1148 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 0.4717 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -1.0519 3.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -1.9098 4.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 -1.6521 3.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 -0.0057 3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0507 -1.0447 6.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 0.6068 5.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 -0.6500 5.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7399 0.9982 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 1.5069 7.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -0.1626 7.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0710 1.2228 8.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8789 0.1919 7.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1501 3.1978 6.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 2.5269 7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8357 1.4467 5.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 2.3946 4.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9254 3.5435 5.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2136 3.7319 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3889 4.4326 5.4840 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 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 26 27 1 0 27 28 2 0 27 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 24 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 67175 1 0 M END